2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C10H14ClN5O2 — CID 4033138

IUPAC2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])CC1
InChIInChI=1S/C10H14ClN5O2/c1-6-2-4-15(5-3-6)9-7(16(17)18)8(12)13-10(11)14-9/h6H,2-5H2,1H3,(H2,12,13,14)
InChIKeyYQZJNSYIWJYUHM-UHFFFAOYSA-N
MW271.71 g/mol
LogP1.86
Rot. Bonds2

About 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 4033138) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID4033138
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])CC1
InChIInChI=1S/C10H14ClN5O2/c1-6-2-4-15(5-3-6)9-7(16(17)18)8(12)13-10(11)14-9/h6H,2-5H2,1H3,(H2,12,13,14)
InChIKeyYQZJNSYIWJYUHM-UHFFFAOYSA-N
XLogP1.86
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 51.86
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 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 4033138) is 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CC1CCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is YQZJNSYIWJYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-6-2-4-15(5-3-6)9-7(16(17)18)8(12)13-10(11)14-9/h6H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 271.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 4033138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).