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

C12H17N7O2 — CID 165112237

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1
InChIInChI=1S/C12H17N7O2/c1-2-19-7-8(5-16-19)17-12-15-6-9(10(13)21)11(18-12)14-3-4-20/h5-7,20H,2-4H2,1H3,(H2,13,21)(H2,14,15,17,18)
InChIKeyDNOLBRPZIGUEIX-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.06
Rot. Bonds7

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

2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide (PubChem CID 165112237) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide
PubChem CID165112237
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1
InChIInChI=1S/C12H17N7O2/c1-2-19-7-8(5-16-19)17-12-15-6-9(10(13)21)11(18-12)14-3-4-20/h5-7,20H,2-4H2,1H3,(H2,13,21)(H2,14,15,17,18)
InChIKeyDNOLBRPZIGUEIX-UHFFFAOYSA-N
XLogP-0.06
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide (CID 165112237) is 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCCO)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is DNOLBRPZIGUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-2-19-7-8(5-16-19)17-12-15-6-9(10(13)21)11(18-12)14-3-4-20/h5-7,20H,2-4H2,1H3,(H2,13,21)(H2,14,15,17,18).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-(2-hydroxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 165112237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).