6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

C13H21N5O2 — CID 23487487

IUPAC6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NC(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H21N5O2/c1-9(2)16-12-11(18(19)20)13(15-8-14-12)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyWTUUDDNKYKRLKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.44
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 23487487) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
PubChem CID23487487
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NC(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C13H21N5O2/c1-9(2)16-12-11(18(19)20)13(15-8-14-12)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyWTUUDDNKYKRLKD-UHFFFAOYSA-N
XLogP2.44
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.44
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

5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23487470
6-(4-methylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492263
methyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 23487634
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
N-(3,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23479397
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504662
5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
CID 23478920

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (CID 23487487) is 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is CC1CCN(c2ncnc(NC(C)C)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is WTUUDDNKYKRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(2)16-12-11(18(19)20)13(15-8-14-12)17-6-4-10(3)5-7-17/h8-10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 23487487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).