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

C14H21N7O — CID 165112229

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC(C)C)n2)cn1
InChIInChI=1S/C14H21N7O/c1-4-21-8-10(6-18-21)19-14-17-7-11(12(15)22)13(20-14)16-5-9(2)3/h6-9H,4-5H2,1-3H3,(H2,15,22)(H2,16,17,19,20)
InChIKeyXMURDYOENKEWPA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.60
Rot. Bonds7

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

2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide (PubChem CID 165112229) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide
PubChem CID165112229
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCC(C)C)n2)cn1
InChIInChI=1S/C14H21N7O/c1-4-21-8-10(6-18-21)19-14-17-7-11(12(15)22)13(20-14)16-5-9(2)3/h6-9H,4-5H2,1-3H3,(H2,15,22)(H2,16,17,19,20)
InChIKeyXMURDYOENKEWPA-UHFFFAOYSA-N
XLogP1.60
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide (CID 165112229) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCC(C)C)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is XMURDYOENKEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-4-21-8-10(6-18-21)19-14-17-7-11(12(15)22)13(20-14)16-5-9(2)3/h6-9H,4-5H2,1-3H3,(H2,15,22)(H2,16,17,19,20).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).