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

C16H15N5 — CID 117083767

IUPAC4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESc1cnc2ccc(Nc3cc(NC4CC4)ncn3)cc2c1
InChIInChI=1S/C16H15N5/c1-2-11-8-13(5-6-14(11)17-7-1)21-16-9-15(18-10-19-16)20-12-3-4-12/h1-2,5-10,12H,3-4H2,(H2,18,19,20,21)
InChIKeyFSAJGIFINVYLID-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.34
Rot. Bonds4

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

4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine (PubChem CID 117083767) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
PubChem CID117083767
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESc1cnc2ccc(Nc3cc(NC4CC4)ncn3)cc2c1
InChIInChI=1S/C16H15N5/c1-2-11-8-13(5-6-14(11)17-7-1)21-16-9-15(18-10-19-16)20-12-3-4-12/h1-2,5-10,12H,3-4H2,(H2,18,19,20,21)
InChIKeyFSAJGIFINVYLID-UHFFFAOYSA-N
XLogP3.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80832323
3-(cyclobutylamino)-4-(quinolin-6-ylamino)cyclobut-3-ene-1,2-dione
CID 175497517
N-(thian-4-yl)quinolin-6-amine
CID 62635274
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
1-N-quinolin-6-ylcyclobutane-1,3-diamine
CID 80562353
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112854815
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine (CID 117083767) is 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine is c1cnc2ccc(Nc3cc(NC4CC4)ncn3)cc2c1.
What is the InChIKey of 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine?
The InChIKey is FSAJGIFINVYLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-11-8-13(5-6-14(11)17-7-1)21-16-9-15(18-10-19-16)20-12-3-4-12/h1-2,5-10,12H,3-4H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine has a molecular weight of 277.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 117083767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).