1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

C22H23N5O2 — CID 159937082

IUPAC1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CC2CCN(c3ccc(-c4ccnc(N)n4)c(C)n3)C2=O)c1
InChIInChI=1S/C22H23N5O2/c1-14-18(19-8-10-24-22(23)26-19)6-7-20(25-14)27-11-9-16(21(27)28)12-15-4-3-5-17(13-15)29-2/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,24,26)
InChIKeyOAJUICAJDPDZRI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 159937082) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID159937082
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CC2CCN(c3ccc(-c4ccnc(N)n4)c(C)n3)C2=O)c1
InChIInChI=1S/C22H23N5O2/c1-14-18(19-8-10-24-22(23)26-19)6-7-20(25-14)27-11-9-16(21(27)28)12-15-4-3-5-17(13-15)29-2/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,24,26)
InChIKeyOAJUICAJDPDZRI-UHFFFAOYSA-N
XLogP3.03
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-bromo-1-(5-bromo-4-methylpyrimidin-2-yl)pyrrolidin-2-one;1-(5-bromo-4-methylpyrimidin-2-yl)-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one;3-methoxyaniline
CID 160510934
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
4-[(1R,2S,8S,9S)-8-[(3-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyrimidin-2-amine
CID 163306963
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
1-(5-bromo-2-pyridinyl)-3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158989043
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
4-[5-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 24877601
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
1-methoxy-3-methylbenzene;2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 145337501
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 932254
6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide
CID 67108153

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 159937082) is 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is COc1cccc(CC2CCN(c3ccc(-c4ccnc(N)n4)c(C)n3)C2=O)c1.
What is the InChIKey of 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is OAJUICAJDPDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-18(19-8-10-24-22(23)26-19)6-7-20(25-14)27-11-9-16(21(27)28)12-15-4-3-5-17(13-15)29-2/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminopyrimidin-4-yl)-6-methyl-2-pyridinyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 159937082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).