N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine

C17H20N4O2 — CID 60567693

IUPACN-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C17H20N4O2/c1-2-14-10-16(18-11-12-4-3-5-12)20-17(19-14)13-6-8-15(9-7-13)21(22)23/h6-10,12H,2-5,11H2,1H3,(H,18,19,20)
InChIKeyFWSUYVVZVAVCPF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.83
Rot. Bonds6

About N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine

N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine (PubChem CID 60567693) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
PubChem CID60567693
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C17H20N4O2/c1-2-14-10-16(18-11-12-4-3-5-12)20-17(19-14)13-6-8-15(9-7-13)21(22)23/h6-10,12H,2-5,11H2,1H3,(H,18,19,20)
InChIKeyFWSUYVVZVAVCPF-UHFFFAOYSA-N
XLogP3.83
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.83
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'}

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133386171
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133326094
6-ethyl-N-[(2-fluorophenyl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 51120770
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 122049460
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-N-prop-2-ynylacetamide
CID 133278074
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 60567668
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 71861501
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133386487
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1-(2-fluorophenyl)ethanol
CID 60567641
trans-(1R,2R)-2-[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperazin-1-yl]cyclopentan-1-ol
CID 97185430
N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 133274151

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine (CID 60567693) is N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine is CCc1cc(NCC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The InChIKey is FWSUYVVZVAVCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-14-10-16(18-11-12-4-3-5-12)20-17(19-14)13-6-8-15(9-7-13)21(22)23/h6-10,12H,2-5,11H2,1H3,(H,18,19,20).
What are the key properties of N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine has a molecular weight of 312.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 60567693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).