[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate

C16H20N6O3 — CID 140653841

IUPAC[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate
SMILESCOc1ncccc1Nc1nccc(NOC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H20N6O3/c1-24-14-12(6-5-8-17-14)19-15-18-9-7-13(20-15)21-25-16(23)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyLMCZKIKCLXRVPV-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.57
Rot. Bonds5

About [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate

[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate (PubChem CID 140653841) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate.

Molecular Properties

Compound Name[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate
PubChem CID140653841
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate
SMILESCOc1ncccc1Nc1nccc(NOC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H20N6O3/c1-24-14-12(6-5-8-17-14)19-15-18-9-7-13(20-15)21-25-16(23)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyLMCZKIKCLXRVPV-UHFFFAOYSA-N
XLogP2.57
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dsr-6434
CID 25071151
N2-(3,5-dimorpholinophenyl)-N4-(6-methoxypyridin-2-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645248
4-[Butyl(ethyl)amino]-8-(2,6-dimethoxypyridin-3-yl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768333
N-butyl-8-(2,6-dimethoxypyridin-3-yl)-N-ethyl-2-methyl-5,6,7,8-tetrahydropteridin-4-amine
CID 24768334
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
4-(6-amino-5-((ethoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 12004374
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-(cyclopentyloxy)pyridin-3-yl)piperazine-1-carboxamide
CID 12004396
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 44433462
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732

Frequently Asked Questions

What is the IUPAC name of [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate?
The IUPAC name of [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate (CID 140653841) is [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate.
What is the SMILES notation for [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate?
The canonical SMILES for [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate is COc1ncccc1Nc1nccc(NOC(=O)N2CCCCC2)n1.
What is the InChIKey of [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate?
The InChIKey is LMCZKIKCLXRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-24-14-12(6-5-8-17-14)19-15-18-9-7-13(20-15)21-25-16(23)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate?
[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate has a molecular weight of 344.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate is sourced from PubChem (CID 140653841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).