4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine

C17H17N5 — CID 117081210

IUPAC4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1
InChIInChI=1S/C17H17N5/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22)
InChIKeyFKTIYIPNEJFVGI-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.65
Rot. Bonds4

About 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine

4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine (PubChem CID 117081210) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine
PubChem CID117081210
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1
InChIInChI=1S/C17H17N5/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22)
InChIKeyFKTIYIPNEJFVGI-UHFFFAOYSA-N
XLogP3.65
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine (CID 117081210) is 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The InChIKey is FKTIYIPNEJFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117081210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).