N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine

C11H16N4O2 — CID 107414046

IUPACN-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
SMILESCC1CCC(CNc2ncc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H16N4O2/c1-8-2-3-9(4-8)5-12-11-13-6-10(7-14-11)15(16)17/h6-9H,2-5H2,1H3,(H,12,13,14)
InChIKeyLRTLTBDEPLUWKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine

N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine (PubChem CID 107414046) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
PubChem CID107414046
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
SMILESCC1CCC(CNc2ncc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H16N4O2/c1-8-2-3-9(4-8)5-12-11-13-6-10(7-14-11)15(16)17/h6-9H,2-5H2,1H3,(H,12,13,14)
InChIKeyLRTLTBDEPLUWKD-UHFFFAOYSA-N
XLogP2.23
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.23
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-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
3-N-[(3-methylcyclopentyl)methyl]-5-nitro-1-N-propylbenzene-1,3-diamine
CID 107415830
N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
CID 104626084
N-[(3-methylcyclopentyl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 107413783
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
5-nitro-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 80586665
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-nitropyrimidin-2-amine
CID 75455214
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
CID 61212119
3-ethoxy-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 80731706

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine (CID 107414046) is N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine is CC1CCC(CNc2ncc([N+](=O)[O-])cn2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine?
The InChIKey is LRTLTBDEPLUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-2-3-9(4-8)5-12-11-13-6-10(7-14-11)15(16)17/h6-9H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine?
N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine is sourced from PubChem (CID 107414046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).