1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one

C24H34N6O2 — CID 125000862

IUPAC1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1
InChIInChI=1S/C24H34N6O2/c1-18-13-19(20-15-26-24(25)27-16-20)14-21(28-18)22-17-30(11-12-32-22)23(31)7-6-10-29-8-4-2-3-5-9-29/h13-16,22H,2-12,17H2,1H3,(H2,25,26,27)/t22-/m1/s1
InChIKeyRYWUDAWDZGEFLA-JOCHJYFZSA-N
MW438.58 g/mol
LogP2.99
Rot. Bonds6

About 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one

1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one (PubChem CID 125000862) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
PubChem CID125000862
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1
InChIInChI=1S/C24H34N6O2/c1-18-13-19(20-15-26-24(25)27-16-20)14-21(28-18)22-17-30(11-12-32-22)23(31)7-6-10-29-8-4-2-3-5-9-29/h13-16,22H,2-12,17H2,1H3,(H2,25,26,27)/t22-/m1/s1
InChIKeyRYWUDAWDZGEFLA-JOCHJYFZSA-N
XLogP2.99
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124958096
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124946154
2-[2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-(2-fluorophenyl)acetamide
CID 127251352
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531
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-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
CID 124967598
2-[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 127251351
2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 125015003
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one?
The IUPAC name of 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one (CID 125000862) is 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one.
What is the SMILES notation for 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one?
The canonical SMILES for 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one is Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one?
The InChIKey is RYWUDAWDZGEFLA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-18-13-19(20-15-26-24(25)27-16-20)14-21(28-18)22-17-30(11-12-32-22)23(31)7-6-10-29-8-4-2-3-5-9-29/h13-16,22H,2-12,17H2,1H3,(H2,25,26,27)/t22-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one?
1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one has a molecular weight of 438.58 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one is sourced from PubChem (CID 125000862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).