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

C18H23N5O — CID 110264820

IUPAC1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C18H23N5O/c1-11(2)17(24)23-5-4-13(10-23)16-7-14(6-12(3)22-16)15-8-20-18(19)21-9-15/h6-9,11,13H,4-5,10H2,1-3H3,(H2,19,20,21)
InChIKeyZXEPTVUFUZAYGX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.40
Rot. Bonds3

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

1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 110264820) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID110264820
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C18H23N5O/c1-11(2)17(24)23-5-4-13(10-23)16-7-14(6-12(3)22-16)15-8-20-18(19)21-9-15/h6-9,11,13H,4-5,10H2,1-3H3,(H2,19,20,21)
InChIKeyZXEPTVUFUZAYGX-UHFFFAOYSA-N
XLogP2.40
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110264830
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834644
2-methyl-1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834676
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819
5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 92617154

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 110264820) is 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1cc(-c2cnc(N)nc2)cc(C2CCN(C(=O)C(C)C)C2)n1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZXEPTVUFUZAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11(2)17(24)23-5-4-13(10-23)16-7-14(6-12(3)22-16)15-8-20-18(19)21-9-15/h6-9,11,13H,4-5,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 325.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110264820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).