N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C16H20N4O — CID 109338660

IUPACN-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H20N4O/c1-11(2)19-15-9-14(17-10-18-15)16(21)20-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyKGQXXGFHUTUHRI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds5

About N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109338660) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109338660
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H20N4O/c1-11(2)19-15-9-14(17-10-18-15)16(21)20-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyKGQXXGFHUTUHRI-UHFFFAOYSA-N
XLogP2.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347713
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347616

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109338660) is N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide is CC(C)Nc1cc(C(=O)NC(C)c2ccccc2)ncn1.
What is the InChIKey of N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is KGQXXGFHUTUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)19-15-9-14(17-10-18-15)16(21)20-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).