3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine

C16H19ClN6O2 — CID 133336336

IUPAC3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)nc(C)n1
InChIInChI=1S/C16H19ClN6O2/c1-10-7-15(20-11(2)19-10)22-5-3-12(4-6-22)21-16-14(17)8-13(9-18-16)23(24)25/h7-9,12H,3-6H2,1-2H3,(H,18,21)
InChIKeyROWNPTGDQDCOTC-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine (PubChem CID 133336336) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
PubChem CID133336336
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)nc(C)n1
InChIInChI=1S/C16H19ClN6O2/c1-10-7-15(20-11(2)19-10)22-5-3-12(4-6-22)21-16-14(17)8-13(9-18-16)23(24)25/h7-9,12H,3-6H2,1-2H3,(H,18,21)
InChIKeyROWNPTGDQDCOTC-UHFFFAOYSA-N
XLogP3.13
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133336273
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
1-(2,6-dimethylpyrimidin-4-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 133336093
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1-(2,6-dimethylpyrimidin-4-yl)-N-(3-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 133336149
methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385700
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
CID 133304684
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine (CID 133336336) is 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine is Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)nc(C)n1.
What is the InChIKey of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine?
The InChIKey is ROWNPTGDQDCOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-10-7-15(20-11(2)19-10)22-5-3-12(4-6-22)21-16-14(17)8-13(9-18-16)23(24)25/h7-9,12H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine?
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine has a molecular weight of 362.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).