6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine

C16H20N6O2 — CID 23483725

IUPAC6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
SMILESCc1ccnc(Nc2ncnc(N3CCCCC3C)c2[N+](=O)[O-])c1
InChIInChI=1S/C16H20N6O2/c1-11-6-7-17-13(9-11)20-15-14(22(23)24)16(19-10-18-15)21-8-4-3-5-12(21)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18,19,20)
InChIKeyYZGDSINEIREZKE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.21
Rot. Bonds4

About 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine

6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine (PubChem CID 23483725) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
PubChem CID23483725
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
SMILESCc1ccnc(Nc2ncnc(N3CCCCC3C)c2[N+](=O)[O-])c1
InChIInChI=1S/C16H20N6O2/c1-11-6-7-17-13(9-11)20-15-14(22(23)24)16(19-10-18-15)21-8-4-3-5-12(21)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18,19,20)
InChIKeyYZGDSINEIREZKE-UHFFFAOYSA-N
XLogP3.21
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.21
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

6-(azepan-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483712
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
N-(3,4-dichlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23485443
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
N-(4-chlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492094
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081
6-(2-ethylpiperidin-1-yl)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480806
6-(2-methylpiperidin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 23487885
4-(4-methylphenyl)sulfanyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492126
N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23492154
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483860

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine (CID 23483725) is 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine is Cc1ccnc(Nc2ncnc(N3CCCCC3C)c2[N+](=O)[O-])c1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
The InChIKey is YZGDSINEIREZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-6-7-17-13(9-11)20-15-14(22(23)24)16(19-10-18-15)21-8-4-3-5-12(21)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine?
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine has a molecular weight of 328.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23483725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).