3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one

C19H26N6O — CID 122349311

IUPAC3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)CC(C)C)CC3)ncn2)c1
InChIInChI=1S/C19H26N6O/c1-14(2)10-19(26)25-8-6-24(7-9-25)18-12-17(21-13-22-18)23-16-11-15(3)4-5-20-16/h4-5,11-14H,6-10H2,1-3H3,(H,20,21,22,23)
InChIKeyJATKBYDGKPWRRF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.62
Rot. Bonds5

About 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one

3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one (PubChem CID 122349311) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
PubChem CID122349311
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)CC(C)C)CC3)ncn2)c1
InChIInChI=1S/C19H26N6O/c1-14(2)10-19(26)25-8-6-24(7-9-25)18-12-17(21-13-22-18)23-16-11-15(3)4-5-20-16/h4-5,11-14H,6-10H2,1-3H3,(H,20,21,22,23)
InChIKeyJATKBYDGKPWRRF-UHFFFAOYSA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122349602
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122349377
2-cyclopentyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349489
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
N-methyl-N-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122349538
2-(2,4-dichlorophenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349361
2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349364
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one (CID 122349311) is 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one is Cc1ccnc(Nc2cc(N3CCN(C(=O)CC(C)C)CC3)ncn2)c1.
What is the InChIKey of 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The InChIKey is JATKBYDGKPWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(2)10-19(26)25-8-6-24(7-9-25)18-12-17(21-13-22-18)23-16-11-15(3)4-5-20-16/h4-5,11-14H,6-10H2,1-3H3,(H,20,21,22,23).
What are the key properties of 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one has a molecular weight of 354.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 122349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).