N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine

C15H25N5O2 — CID 142928201

IUPACN-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine
SMILESCc1ncc([N+](=O)[O-])c(NCC2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-16-9-14(20(21)22)15(18-11)17-8-12-4-6-13(7-5-12)10-19(2)3/h9,12-13H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyFZJUSGIXAQXSLW-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.47
Rot. Bonds6

About N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine

N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine (PubChem CID 142928201) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine
PubChem CID142928201
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine
SMILESCc1ncc([N+](=O)[O-])c(NCC2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-16-9-14(20(21)22)15(18-11)17-8-12-4-6-13(7-5-12)10-19(2)3/h9,12-13H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyFZJUSGIXAQXSLW-UHFFFAOYSA-N
XLogP2.47
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.47
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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Related Compounds

4-N-[[3-(aminomethyl)cyclohexyl]methyl]-2-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine;2-N-[(2-chlorophenyl)methyl]-4-N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 159943213
4-[[(2-amino-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138501
2-amino-N-[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]-N-methylacetamide
CID 154457711
2-chloro-N-(cyclohexylmethyl)-5-nitropyrimidin-4-amine
CID 86691694
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 114043245
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
tert-butyl 4-[[(2-chloro-5-nitropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 59868012
cis-(1R,3R)-3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 59845667
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
3-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 104507914

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine (CID 142928201) is N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine is Cc1ncc([N+](=O)[O-])c(NCC2CCC(CN(C)C)CC2)n1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine?
The InChIKey is FZJUSGIXAQXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-16-9-14(20(21)22)15(18-11)17-8-12-4-6-13(7-5-12)10-19(2)3/h9,12-13H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine?
N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 142928201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).