1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C17H20N6O2 — CID 109346006

IUPAC1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NCc3cccnc3)ncn2)CC1
InChIInChI=1S/C17H20N6O2/c1-13(24)22-5-7-23(8-6-22)17(25)15-9-16(21-12-20-15)19-11-14-3-2-4-18-10-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,20,21)
InChIKeyVRVYDAUGRHMMIX-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.79
Rot. Bonds4

About 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109346006) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109346006
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NCc3cccnc3)ncn2)CC1
InChIInChI=1S/C17H20N6O2/c1-13(24)22-5-7-23(8-6-22)17(25)15-9-16(21-12-20-15)19-11-14-3-2-4-18-10-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,20,21)
InChIKeyVRVYDAUGRHMMIX-UHFFFAOYSA-N
XLogP0.79
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109349894
[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109370979
azepan-1-yl-[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109370993
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109347052
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109346006) is 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(NCc3cccnc3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is VRVYDAUGRHMMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-13(24)22-5-7-23(8-6-22)17(25)15-9-16(21-12-20-15)19-11-14-3-2-4-18-10-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,20,21).
What are the key properties of 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 340.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109346006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).