N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H22N6O2 — CID 166250448

IUPACN-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)COc1cncc(NC(=O)c2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C17H22N6O2/c1-12(2)11-25-15-10-18-9-14(21-15)22-16(24)13-5-6-19-17(20-13)23-7-3-4-8-23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,24)
InChIKeyOMRFAYNEQLTDOI-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.15
Rot. Bonds6

About N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166250448) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID166250448
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)COc1cncc(NC(=O)c2ccnc(N3CCCC3)n2)n1
InChIInChI=1S/C17H22N6O2/c1-12(2)11-25-15-10-18-9-14(21-15)22-16(24)13-5-6-19-17(20-13)23-7-3-4-8-23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,24)
InChIKeyOMRFAYNEQLTDOI-UHFFFAOYSA-N
XLogP2.15
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122060214
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 166250448) is N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)COc1cncc(NC(=O)c2ccnc(N3CCCC3)n2)n1.
What is the InChIKey of N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is OMRFAYNEQLTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(2)11-25-15-10-18-9-14(21-15)22-16(24)13-5-6-19-17(20-13)23-7-3-4-8-23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropoxy)pyrazin-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166250448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).