N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine

C14H23N5O2 — CID 61212119

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
SMILESCC1CCCC(CNc2ncc([N+](=O)[O-])cn2)(N(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13-15-8-12(9-16-13)19(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyMTGXVJRNCDJWGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.31
Rot. Bonds5

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine (PubChem CID 61212119) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
PubChem CID61212119
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
SMILESCC1CCCC(CNc2ncc([N+](=O)[O-])cn2)(N(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13-15-8-12(9-16-13)19(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyMTGXVJRNCDJWGM-UHFFFAOYSA-N
XLogP2.31
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine (CID 61212119) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine is CC1CCCC(CNc2ncc([N+](=O)[O-])cn2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine?
The InChIKey is MTGXVJRNCDJWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-5-4-6-14(7-11,18(2)3)10-17-13-15-8-12(9-16-13)19(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine is sourced from PubChem (CID 61212119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).