4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C17H20N4O2 — CID 126434940

IUPAC4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc3c(c2)CCO3)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C17H20N4O2/c18-17-20-14(13-3-5-22-10-13)8-16(21-17)19-9-11-1-2-15-12(7-11)4-6-23-15/h1-2,7-8,13H,3-6,9-10H2,(H3,18,19,20,21)/t13-/m1/s1
InChIKeyPVXUITWISWOJMG-CYBMUJFWSA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds4

About 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126434940) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126434940
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc3c(c2)CCO3)cc([C@@H]2CCOC2)n1
InChIInChI=1S/C17H20N4O2/c18-17-20-14(13-3-5-22-10-13)8-16(21-17)19-9-11-1-2-15-12(7-11)4-6-23-15/h1-2,7-8,13H,3-6,9-10H2,(H3,18,19,20,21)/t13-/m1/s1
InChIKeyPVXUITWISWOJMG-CYBMUJFWSA-N
XLogP2.11
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125160881
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866
4-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452686
6-[(3R)-oxolan-3-yl]-4-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 126430229
4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126446856
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
1-[4-[(4-methoxyphenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
CID 126424935
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
3-[2-[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethoxy]benzoic acid
CID 118770286

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126434940) is 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is Nc1nc(NCc2ccc3c(c2)CCO3)cc([C@@H]2CCOC2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PVXUITWISWOJMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17-20-14(13-3-5-22-10-13)8-16(21-17)19-9-11-1-2-15-12(7-11)4-6-23-15/h1-2,7-8,13H,3-6,9-10H2,(H3,18,19,20,21)/t13-/m1/s1.
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 312.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126434940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).