6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine

C19H22N6O2 — CID 133378132

IUPAC6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)Cc2cc(C)[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H22N6O2/c1-4-15-11-18(20-12(2)9-16-10-13(3)23-24-16)22-19(21-15)14-5-7-17(8-6-14)25(26)27/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyNSPRKVWQPJPTCM-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.69
Rot. Bonds7

About 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine

6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine (PubChem CID 133378132) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine
PubChem CID133378132
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)Cc2cc(C)[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H22N6O2/c1-4-15-11-18(20-12(2)9-16-10-13(3)23-24-16)22-19(21-15)14-5-7-17(8-6-14)25(26)27/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyNSPRKVWQPJPTCM-UHFFFAOYSA-N
XLogP3.69
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 122049460
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 71861501
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-methylsulfonyl-4-nitroaniline
CID 100670221
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 60567668
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
(2R)-4-(diethylamino)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]butan-1-ol
CID 100670022
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133386487
6-ethyl-N-[(2-fluorophenyl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 51120770
1-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 133274792
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088
5-ethyl-2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 95131902
5-ethyl-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 50970028

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine (CID 133378132) is 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine is CCc1cc(NC(C)Cc2cc(C)[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The InChIKey is NSPRKVWQPJPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-15-11-18(20-12(2)9-16-10-13(3)23-24-16)22-19(21-15)14-5-7-17(8-6-14)25(26)27/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine?
6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 133378132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).