4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one

C22H26N4O — CID 146512786

IUPAC4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)[C@@H](CNc1nc(Cc2ccccc2)cc(=O)[nH]1)Cc1ccccc1
InChIInChI=1S/C22H26N4O/c1-26(2)20(14-18-11-7-4-8-12-18)16-23-22-24-19(15-21(27)25-22)13-17-9-5-3-6-10-17/h3-12,15,20H,13-14,16H2,1-2H3,(H2,23,24,25,27)/t20-/m1/s1
InChIKeyMSYYSBYAMHMTPK-HXUWFJFHSA-N
MW362.48 g/mol
LogP2.95
Rot. Bonds8

About 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one

4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one (PubChem CID 146512786) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
PubChem CID146512786
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
SMILESCN(C)[C@@H](CNc1nc(Cc2ccccc2)cc(=O)[nH]1)Cc1ccccc1
InChIInChI=1S/C22H26N4O/c1-26(2)20(14-18-11-7-4-8-12-18)16-23-22-24-19(15-21(27)25-22)13-17-9-5-3-6-10-17/h3-12,15,20H,13-14,16H2,1-2H3,(H2,23,24,25,27)/t20-/m1/s1
InChIKeyMSYYSBYAMHMTPK-HXUWFJFHSA-N
XLogP2.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-3-pyridinyl)methyl]-2-[[2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
CID 137314954
2-[[(2R)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146512789
2-[[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146513122
2-[[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]amino]-4-(naphthalen-2-ylmethyl)-1H-pyrimidin-6-one
CID 137314963
4-(1-benzothiophen-2-ylmethyl)-2-[[2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]amino]-1H-pyrimidin-6-one
CID 137314964
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
CID 142400663
4-benzyl-2-methoxy-1H-pyrimidin-6-one
CID 135483738
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55833945
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703
2-(benzhydrylamino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779907

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one (CID 146512786) is 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one is CN(C)[C@@H](CNc1nc(Cc2ccccc2)cc(=O)[nH]1)Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is MSYYSBYAMHMTPK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4O/c1-26(2)20(14-18-11-7-4-8-12-18)16-23-22-24-19(15-21(27)25-22)13-17-9-5-3-6-10-17/h3-12,15,20H,13-14,16H2,1-2H3,(H2,23,24,25,27)/t20-/m1/s1.
What are the key properties of 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one?
4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 362.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 146512786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).