N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine

C12H18N4O4 — CID 82457012

IUPACN-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
SMILESCOCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C12H18N4O4/c1-19-7-9-14-11(13-8-5-3-4-6-8)10(16(17)18)12(15-9)20-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHPWYUEUKSXGYLC-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.89
Rot. Bonds6

About N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine

N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine (PubChem CID 82457012) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
PubChem CID82457012
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine
SMILESCOCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C12H18N4O4/c1-19-7-9-14-11(13-8-5-3-4-6-8)10(16(17)18)12(15-9)20-2/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHPWYUEUKSXGYLC-UHFFFAOYSA-N
XLogP1.89
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454720
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
6-chloro-N-cyclopropyl-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82459091
2-tert-butyl-N-cyclopentyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82456948
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454945
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
N-cyclohexyl-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23487801
4-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23487701
6-N-cycloheptyl-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 22538876
4-N-cyclohexyl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine
CID 23487712
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine (CID 82457012) is N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine is COCc1nc(NC2CCCC2)c([N+](=O)[O-])c(OC)n1.
What is the InChIKey of N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
The InChIKey is HPWYUEUKSXGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-19-7-9-14-11(13-8-5-3-4-6-8)10(16(17)18)12(15-9)20-2/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine?
N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine has a molecular weight of 282.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-2-(methoxymethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82457012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).