4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

C18H19N7OS — CID 122349281

IUPAC4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C18H19N7OS/c26-18(23-17-5-3-11-27-17)25-9-7-24(8-10-25)16-12-15(20-13-21-16)22-14-4-1-2-6-19-14/h1-6,11-13H,7-10H2,(H,23,26)(H,19,20,21,22)
InChIKeyROESYRQZCOJXHX-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.03
Rot. Bonds4

About 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122349281) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122349281
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C18H19N7OS/c26-18(23-17-5-3-11-27-17)25-9-7-24(8-10-25)16-12-15(20-13-21-16)22-14-4-1-2-6-19-14/h1-6,11-13H,7-10H2,(H,23,26)(H,19,20,21,22)
InChIKeyROESYRQZCOJXHX-UHFFFAOYSA-N
XLogP3.03
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
(4-iodophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349291
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
(2-fluorophenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348922
(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348910
(5-bromo-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349064
3-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349108
2-(4-fluorophenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349079
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 71795031
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979

Frequently Asked Questions

What is the IUPAC name of 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122349281) is 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is ROESYRQZCOJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c26-18(23-17-5-3-11-27-17)25-9-7-24(8-10-25)16-12-15(20-13-21-16)22-14-4-1-2-6-19-14/h1-6,11-13H,7-10H2,(H,23,26)(H,19,20,21,22).
What are the key properties of 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122349281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).