2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C16H18N8O — CID 165112316

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccn3)n2)cn1
InChIInChI=1S/C16H18N8O/c1-2-24-10-12(8-21-24)22-16-20-9-13(14(17)25)15(23-16)19-7-11-5-3-4-6-18-11/h3-6,8-10H,2,7H2,1H3,(H2,17,25)(H2,19,20,22,23)
InChIKeyLWJYNTWSRNVSTJ-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.54
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 165112316) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID165112316
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccn3)n2)cn1
InChIInChI=1S/C16H18N8O/c1-2-24-10-12(8-21-24)22-16-20-9-13(14(17)25)15(23-16)19-7-11-5-3-4-6-18-11/h3-6,8-10H,2,7H2,1H3,(H2,17,25)(H2,19,20,22,23)
InChIKeyLWJYNTWSRNVSTJ-UHFFFAOYSA-N
XLogP1.54
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 53328248
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CID 53328636
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
6-methyl-N-(1-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330916

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 165112316) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccccn3)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is LWJYNTWSRNVSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-2-24-10-12(8-21-24)22-16-20-9-13(14(17)25)15(23-16)19-7-11-5-3-4-6-18-11/h3-6,8-10H,2,7H2,1H3,(H2,17,25)(H2,19,20,22,23).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).