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

C16H15N5 — CID 90189826

IUPAC4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc3ncccc23)n1
InChIInChI=1S/C16H15N5/c17-16-20-14(9-15(21-16)19-10-6-7-10)12-3-1-5-13-11(12)4-2-8-18-13/h1-5,8-10H,6-7H2,(H3,17,19,20,21)
InChIKeyDVNLFKLIWKKSND-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.85
Rot. Bonds3

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

4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine (PubChem CID 90189826) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine
PubChem CID90189826
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc3ncccc23)n1
InChIInChI=1S/C16H15N5/c17-16-20-14(9-15(21-16)19-10-6-7-10)12-3-1-5-13-11(12)4-2-8-18-13/h1-5,8-10H,6-7H2,(H3,17,19,20,21)
InChIKeyDVNLFKLIWKKSND-UHFFFAOYSA-N
XLogP2.85
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine (CID 90189826) is 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine?
The InChIKey is DVNLFKLIWKKSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-16-20-14(9-15(21-16)19-10-6-7-10)12-3-1-5-13-11(12)4-2-8-18-13/h1-5,8-10H,6-7H2,(H3,17,19,20,21).
What are the key properties of 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).