6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

C14H15ClN4O2 — CID 82458941

IUPAC6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c([N+](=O)[O-])c(NC(C)c2ccccc2)n1
InChIInChI=1S/C14H15ClN4O2/c1-3-11-17-13(15)12(19(20)21)14(18-11)16-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyVHLTXGZUZQETHU-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.77
Rot. Bonds5

About 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 82458941) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID82458941
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c([N+](=O)[O-])c(NC(C)c2ccccc2)n1
InChIInChI=1S/C14H15ClN4O2/c1-3-11-17-13(15)12(19(20)21)14(18-11)16-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyVHLTXGZUZQETHU-UHFFFAOYSA-N
XLogP3.77
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)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

N-butan-2-yl-6-chloro-5-nitro-2-propylpyrimidin-4-amine
CID 82459074
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956
6-chloro-2-ethyl-5-nitro-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82458946
6-N-(3,5-dichlorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23483543
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-5-nitropyrimidin-4-amine
CID 66196435
2-ethyl-5-nitro-N-propan-2-yl-6-prop-2-enylsulfanylpyrimidin-4-amine
CID 21445102
5-nitro-4-N-(1-phenylethyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 23486521
4-N,4-N-dimethyl-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23488900
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455686
2-[ethyl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]ethanol
CID 23493128
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (CID 82458941) is 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine is CCc1nc(Cl)c([N+](=O)[O-])c(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is VHLTXGZUZQETHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-3-11-17-13(15)12(19(20)21)14(18-11)16-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 306.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82458941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).