2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C17H22N6O2 — CID 56788787

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-13(21-14-4-5-15(25-2)20-12-14)16(24)22-8-10-23(11-9-22)17-18-6-3-7-19-17/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyMDTFOHCLHJFGBP-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.03
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 56788787) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID56788787
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(NC(C)C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-13(21-14-4-5-15(25-2)20-12-14)16(24)22-8-10-23(11-9-22)17-18-6-3-7-19-17/h3-7,12-13,21H,8-11H2,1-2H3
InChIKeyMDTFOHCLHJFGBP-UHFFFAOYSA-N
XLogP1.03
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

Leniolisib
CID 57495353
Leniolisib Phosphate
CID 90214495
8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 10363553
4-[Butyl(ethyl)amino]-8-(2,6-dimethoxypyridin-3-yl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768333
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11603119
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
3-Ethyl-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 44412875
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)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49784892

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 56788787) is 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is COc1ccc(NC(C)C(=O)N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is MDTFOHCLHJFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13(21-14-4-5-15(25-2)20-12-14)16(24)22-8-10-23(11-9-22)17-18-6-3-7-19-17/h3-7,12-13,21H,8-11H2,1-2H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 56788787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).