N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide

C23H27N5O — CID 154452245

IUPACN-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCN(c2nc(C)cc(N)n2)[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C23H27N5O/c1-16-14-22(24)27-23(25-16)28(17(2)20-9-5-4-6-10-20)13-12-19-8-7-11-21(15-19)26-18(3)29/h4-11,14-15,17H,12-13H2,1-3H3,(H,26,29)(H2,24,25,27)/t17-/m0/s1
InChIKeyTYSWOLHATJKKKQ-KRWDZBQOSA-N
MW389.50 g/mol
LogP4.14
Rot. Bonds7

About N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide

N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 154452245) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide
PubChem CID154452245
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCN(c2nc(C)cc(N)n2)[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C23H27N5O/c1-16-14-22(24)27-23(25-16)28(17(2)20-9-5-4-6-10-20)13-12-19-8-7-11-21(15-19)26-18(3)29/h4-11,14-15,17H,12-13H2,1-3H3,(H,26,29)(H2,24,25,27)/t17-/m0/s1
InChIKeyTYSWOLHATJKKKQ-KRWDZBQOSA-N
XLogP4.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate
CID 20578138
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CID 86909136
N-[3-[2-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)ethyl]phenyl]acetamide
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N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
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CID 55505497
N-[3-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112915733
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 37466921
[3-(2-acetamidoethyl)phenyl]carbamic acid
CID 69174088
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide (CID 154452245) is N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(CCN(c2nc(C)cc(N)n2)[C@@H](C)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is TYSWOLHATJKKKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-14-22(24)27-23(25-16)28(17(2)20-9-5-4-6-10-20)13-12-19-8-7-11-21(15-19)26-18(3)29/h4-11,14-15,17H,12-13H2,1-3H3,(H,26,29)(H2,24,25,27)/t17-/m0/s1.
What are the key properties of N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide?
N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 154452245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).