N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C10H16N4O2 — CID 69144390

IUPACN-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1nccc(C(=O)NCCO)n1
InChIInChI=1S/C10H16N4O2/c1-7(2)13-10-12-4-3-8(14-10)9(16)11-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyHEIFOEBUQYJZAD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.02
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide

N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 69144390) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID69144390
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1nccc(C(=O)NCCO)n1
InChIInChI=1S/C10H16N4O2/c1-7(2)13-10-12-4-3-8(14-10)9(16)11-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyHEIFOEBUQYJZAD-UHFFFAOYSA-N
XLogP0.02
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 69144390) is N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide is CC(C)Nc1nccc(C(=O)NCCO)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HEIFOEBUQYJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(2)13-10-12-4-3-8(14-10)9(16)11-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,11,16)(H,12,13,14).
What are the key properties of N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 69144390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).