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

C11H16ClN5O2 — CID 114043150

IUPAC2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN5O2/c1-7-9(17(18)19)10(15-11(12)13-7)14-8-3-5-16(2)6-4-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyXVEDTBDIJLVCKR-UHFFFAOYSA-N
MW285.74 g/mol
LogP1.85
Rot. Bonds3

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

2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine (PubChem CID 114043150) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
PubChem CID114043150
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN5O2/c1-7-9(17(18)19)10(15-11(12)13-7)14-8-3-5-16(2)6-4-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyXVEDTBDIJLVCKR-UHFFFAOYSA-N
XLogP1.85
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 51.85
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

2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
CID 114043442
2-chloro-N-cyclohex-3-en-1-yl-6-methyl-5-nitropyrimidin-4-amine
CID 114156776
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
1-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 86016058
tert-butyl 4-[2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]ethyl]piperidine-1-carboxylate
CID 139996433
[1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-yl]methanol
CID 114043094
6-chloro-N-cyclopropyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458974
2-chloro-N-(2-chloroprop-2-enyl)-6-methyl-5-nitropyrimidin-4-amine
CID 106195519
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80803697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine (CID 114043150) is 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine is Cc1nc(Cl)nc(NC2CCN(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine?
The InChIKey is XVEDTBDIJLVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-7-9(17(18)19)10(15-11(12)13-7)14-8-3-5-16(2)6-4-8/h8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine?
2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine has a molecular weight of 285.74 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).