4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine

C10H15N5O2 — CID 114044083

IUPAC4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)ncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H15N5O2/c1-7-3-2-4-14(6-7)9-8(15(16)17)5-12-10(11)13-9/h5,7H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyMYVUPZXKQOTQGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.20
Rot. Bonds2

About 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine

4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine (PubChem CID 114044083) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
PubChem CID114044083
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)ncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H15N5O2/c1-7-3-2-4-14(6-7)9-8(15(16)17)5-12-10(11)13-9/h5,7H,2-4,6H2,1H3,(H2,11,12,13)
InChIKeyMYVUPZXKQOTQGR-UHFFFAOYSA-N
XLogP1.20
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.20
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-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine
CID 114044762
1-(2-chloro-5-nitropyrimidin-4-yl)-4-methylazepane
CID 114043306
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697
2-chloro-4-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 58638538
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
CID 66279399
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
5-bromo-2-(3-methylpiperidin-1-yl)pyridin-3-amine
CID 61228660

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine (CID 114044083) is 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine is CC1CCCN(c2nc(N)ncc2[N+](=O)[O-])C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine?
The InChIKey is MYVUPZXKQOTQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7-3-2-4-14(6-7)9-8(15(16)17)5-12-10(11)13-9/h5,7H,2-4,6H2,1H3,(H2,11,12,13).
What are the key properties of 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine?
4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 114044083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).