2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine

C24H24FN7 — CID 142751244

IUPAC2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)cc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C24H24FN7/c1-15-3-5-19(25)10-22(15)30-24-27-13-21(18-12-28-32(2)14-18)23(31-24)29-20-6-4-16-7-8-26-11-17(16)9-20/h3-6,9-10,12-14,26H,7-8,11H2,1-2H3,(H2,27,29,30,31)
InChIKeyUBYNKDNUYDOWAR-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.46
Rot. Bonds5

About 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine

2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine (PubChem CID 142751244) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
PubChem CID142751244
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC Name2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
SMILESCc1ccc(F)cc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3c(c2)CNCC3)n1
InChIInChI=1S/C24H24FN7/c1-15-3-5-19(25)10-22(15)30-24-27-13-21(18-12-28-32(2)14-18)23(31-24)29-20-6-4-16-7-8-26-11-17(16)9-20/h3-6,9-10,12-14,26H,7-8,11H2,1-2H3,(H2,27,29,30,31)
InChIKeyUBYNKDNUYDOWAR-UHFFFAOYSA-N
XLogP4.46
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine (CID 142751244) is 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine is Cc1ccc(F)cc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3c(c2)CNCC3)n1.
What is the InChIKey of 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The InChIKey is UBYNKDNUYDOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7/c1-15-3-5-19(25)10-22(15)30-24-27-13-21(18-12-28-32(2)14-18)23(31-24)29-20-6-4-16-7-8-26-11-17(16)9-20/h3-6,9-10,12-14,26H,7-8,11H2,1-2H3,(H2,27,29,30,31).
What are the key properties of 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine has a molecular weight of 429.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142751244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).