4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile

C20H20N8 — CID 167248472

IUPAC4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile
SMILESCc1cc(Nc2ncc(C#N)c(Nc3cccc(N)n3)n2)cc2c1CCNC2
InChIInChI=1S/C20H20N8/c1-12-7-15(8-13-10-23-6-5-16(12)13)25-20-24-11-14(9-21)19(28-20)27-18-4-2-3-17(22)26-18/h2-4,7-8,11,23H,5-6,10H2,1H3,(H4,22,24,25,26,27,28)
InChIKeyMCNQHAZPCWZTEL-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.77
Rot. Bonds4

About 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile

4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile (PubChem CID 167248472) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile
PubChem CID167248472
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile
SMILESCc1cc(Nc2ncc(C#N)c(Nc3cccc(N)n3)n2)cc2c1CCNC2
InChIInChI=1S/C20H20N8/c1-12-7-15(8-13-10-23-6-5-16(12)13)25-20-24-11-14(9-21)19(28-20)27-18-4-2-3-17(22)26-18/h2-4,7-8,11,23H,5-6,10H2,1H3,(H4,22,24,25,26,27,28)
InChIKeyMCNQHAZPCWZTEL-UHFFFAOYSA-N
XLogP2.77
TPSA124.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile (CID 167248472) is 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile is Cc1cc(Nc2ncc(C#N)c(Nc3cccc(N)n3)n2)cc2c1CCNC2.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile?
The InChIKey is MCNQHAZPCWZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-12-7-15(8-13-10-23-6-5-16(12)13)25-20-24-11-14(9-21)19(28-20)27-18-4-2-3-17(22)26-18/h2-4,7-8,11,23H,5-6,10H2,1H3,(H4,22,24,25,26,27,28).
What are the key properties of 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile?
4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile has a molecular weight of 372.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)amino]-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 167248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).