4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C22H25N5O — CID 137268074

IUPAC4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3CCN(c4ccccc4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C22H25N5O/c1-15-16(2)25-21(26-22(15)28)18-8-9-20(24-13-18)23-12-17-10-11-27(14-17)19-6-4-3-5-7-19/h3-9,13,17H,10-12,14H2,1-2H3,(H,23,24)(H,25,26,28)
InChIKeyRUGFXMIBSQCPDA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.39
Rot. Bonds5

About 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268074) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268074
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3CCN(c4ccccc4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C22H25N5O/c1-15-16(2)25-21(26-22(15)28)18-8-9-20(24-13-18)23-12-17-10-11-27(14-17)19-6-4-3-5-7-19/h3-9,13,17H,10-12,14H2,1-2H3,(H,23,24)(H,25,26,28)
InChIKeyRUGFXMIBSQCPDA-UHFFFAOYSA-N
XLogP3.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136667097
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137261742
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 36833284
4,5-dimethyl-2-[6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267994
4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264931
2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137251167
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
CID 97312348
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268074) is 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCC3CCN(c4ccccc4)C3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is RUGFXMIBSQCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-16(2)25-21(26-22(15)28)18-8-9-20(24-13-18)23-12-17-10-11-27(14-17)19-6-4-3-5-7-19/h3-9,13,17H,10-12,14H2,1-2H3,(H,23,24)(H,25,26,28).
What are the key properties of 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 375.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).