4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C19H25N7O2 — CID 23492185

IUPAC4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCC1CCCCN1c1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H25N7O2/c1-15-6-3-5-9-25(15)19-17(26(27)28)18(21-14-22-19)24-12-10-23(11-13-24)16-7-2-4-8-20-16/h2,4,7-8,14-15H,3,5-6,9-13H2,1H3
InChIKeyUEXYXMHMTARUTE-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.49
Rot. Bonds4

About 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 23492185) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID23492185
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCC1CCCCN1c1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H25N7O2/c1-15-6-3-5-9-25(15)19-17(26(27)28)18(21-14-22-19)24-12-10-23(11-13-24)16-7-2-4-8-20-16/h2,4,7-8,14-15H,3,5-6,9-13H2,1H3
InChIKeyUEXYXMHMTARUTE-UHFFFAOYSA-N
XLogP2.49
TPSA91.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

4-chloro-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 23477405
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492227
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
N-benzyl-N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23477954
4-chloro-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidine
CID 62102665
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483725
N-(4-methylphenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22532900
4-(4-methylphenyl)sulfanyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492126
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
N-(3,4-dichlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23485443
5-nitro-N-(2-piperidin-1-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22526127

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 23492185) is 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is CC1CCCCN1c1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is UEXYXMHMTARUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-15-6-3-5-9-25(15)19-17(26(27)28)18(21-14-22-19)24-12-10-23(11-13-24)16-7-2-4-8-20-16/h2,4,7-8,14-15H,3,5-6,9-13H2,1H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 383.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 23492185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).