N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide

C27H28N4O3 — CID 123553505

IUPACN-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occ(CC(=O)NCCO)c3c2)n1
InChIInChI=1S/C27H28N4O3/c1-17-29-24(15-26(30-17)31-23-8-4-6-18-5-2-3-7-21(18)23)19-9-10-25-22(13-19)20(16-34-25)14-27(33)28-11-12-32/h2-3,5,7,9-10,13,15-16,23,32H,4,6,8,11-12,14H2,1H3,(H,28,33)(H,29,30,31)/t23-/m1/s1
InChIKeyDELAJMAZXHWSGY-HSZRJFAPSA-N
MW456.55 g/mol
LogP4.34
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide

N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide (PubChem CID 123553505) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide
PubChem CID123553505
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occ(CC(=O)NCCO)c3c2)n1
InChIInChI=1S/C27H28N4O3/c1-17-29-24(15-26(30-17)31-23-8-4-6-18-5-2-3-7-21(18)23)19-9-10-25-22(13-19)20(16-34-25)14-27(33)28-11-12-32/h2-3,5,7,9-10,13,15-16,23,32H,4,6,8,11-12,14H2,1H3,(H,28,33)(H,29,30,31)/t23-/m1/s1
InChIKeyDELAJMAZXHWSGY-HSZRJFAPSA-N
XLogP4.34
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide with MolForge

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Related Compounds

2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123482750
6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123894871
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate
CID 127035917
2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
CID 127024139
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 123625262
6-[4-chloro-3-(prop-2-ynylamino)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024571
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51927353
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123676574

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide (CID 123553505) is N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occ(CC(=O)NCCO)c3c2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide?
The InChIKey is DELAJMAZXHWSGY-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17-29-24(15-26(30-17)31-23-8-4-6-18-5-2-3-7-21(18)23)19-9-10-25-22(13-19)20(16-34-25)14-27(33)28-11-12-32/h2-3,5,7,9-10,13,15-16,23,32H,4,6,8,11-12,14H2,1H3,(H,28,33)(H,29,30,31)/t23-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide?
N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 123553505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).