[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H20N8O — CID 109258694

IUPAC[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccccn2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20N8O/c28-17(26-8-10-27(11-9-26)19-21-6-3-7-22-19)15-12-23-18(24-13-15)25-14-16-4-1-2-5-20-16/h1-7,12-13H,8-11,14H2,(H,23,24,25)
InChIKeyFQNSRKABDTUTOS-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.24
Rot. Bonds5

About [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109258694) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109258694
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccccn2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20N8O/c28-17(26-8-10-27(11-9-26)19-21-6-3-7-22-19)15-12-23-18(24-13-15)25-14-16-4-1-2-5-20-16/h1-7,12-13H,8-11,14H2,(H,23,24,25)
InChIKeyFQNSRKABDTUTOS-UHFFFAOYSA-N
XLogP1.24
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249233
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
[2-(tert-butylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262256
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
[2-(2-fluoroanilino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262279
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109235071
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109258694) is [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(NCc2ccccn2)nc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FQNSRKABDTUTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-17(26-8-10-27(11-9-26)19-21-6-3-7-22-19)15-12-23-18(24-13-15)25-14-16-4-1-2-5-20-16/h1-7,12-13H,8-11,14H2,(H,23,24,25).
What are the key properties of [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).