(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone

C17H21N5O — CID 109350170

IUPAC(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccncc3)ncn2)C1
InChIInChI=1S/C17H21N5O/c1-13-3-2-8-22(11-13)17(23)15-9-16(21-12-20-15)19-10-14-4-6-18-7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,19,20,21)
InChIKeyGYFCYDSVOIOVGX-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.36
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109350170) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109350170
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccncc3)ncn2)C1
InChIInChI=1S/C17H21N5O/c1-13-3-2-8-22(11-13)17(23)15-9-16(21-12-20-15)19-10-14-4-6-18-7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,19,20,21)
InChIKeyGYFCYDSVOIOVGX-UHFFFAOYSA-N
XLogP2.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047
(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 112854128
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109330133
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (CID 109350170) is (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is CC1CCCN(C(=O)c2cc(NCc3ccncc3)ncn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is GYFCYDSVOIOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-3-2-8-22(11-13)17(23)15-9-16(21-12-20-15)19-10-14-4-6-18-7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,19,20,21).
What are the key properties of (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109350170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).