2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine

C21H17ClN6 — CID 166547646

IUPAC2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1cncc(-c2ccc(C3CC3)cc2)n1)c1nc(Cl)nc2cnccc12
InChIInChI=1S/C21H17ClN6/c1-28(20-16-8-9-23-11-18(16)26-21(22)27-20)19-12-24-10-17(25-19)15-6-4-14(5-7-15)13-2-3-13/h4-13H,2-3H2,1H3
InChIKeyIUCOVFIPJFBGBT-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.78
Rot. Bonds4

About 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine

2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166547646) has the molecular formula C21H17ClN6 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID166547646
Molecular FormulaC21H17ClN6
Molecular Weight388.86 g/mol
Exact Mass388.12
IUPAC Name2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1cncc(-c2ccc(C3CC3)cc2)n1)c1nc(Cl)nc2cnccc12
InChIInChI=1S/C21H17ClN6/c1-28(20-16-8-9-23-11-18(16)26-21(22)27-20)19-12-24-10-17(25-19)15-6-4-14(5-7-15)13-2-3-13/h4-13H,2-3H2,1H3
InChIKeyIUCOVFIPJFBGBT-UHFFFAOYSA-N
XLogP4.78
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
CID 170363664
6-(4-cyclobutylphenyl)-N-ethylpyrazin-2-amine
CID 116506952
1-chloro-N-[5-(4-cyclopropylphenyl)-2-fluorophenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 175790198
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 137350738
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
8-chloro-N-[6-(6-cyclopropyl-3-pyridinyl)pyrazin-2-yl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2-chloro-6-ethylpyrazine;(6-cyclopropyl-3-pyridinyl)boronic acid;2-(6-cyclopropyl-3-pyridinyl)-6-ethylpyrazine
CID 167673503
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 167878983
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
CID 141342852
6-[4-[1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 74243404
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
CID 116506889
2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
CID 69054880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine (CID 166547646) is 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine is CN(c1cncc(-c2ccc(C3CC3)cc2)n1)c1nc(Cl)nc2cnccc12.
What is the InChIKey of 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is IUCOVFIPJFBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6/c1-28(20-16-8-9-23-11-18(16)26-21(22)27-20)19-12-24-10-17(25-19)15-6-4-14(5-7-15)13-2-3-13/h4-13H,2-3H2,1H3.
What are the key properties of 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine?
2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 388.86 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166547646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).