N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C16H14FN3S — CID 133350958

IUPACN-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(N(Cc3cccs3)C3CC3)c2c1
InChIInChI=1S/C16H14FN3S/c17-11-3-6-15-14(8-11)16(19-10-18-15)20(12-4-5-12)9-13-2-1-7-21-13/h1-3,6-8,10,12H,4-5,9H2
InChIKeyKLJOQOVUVZSCEQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.00
Rot. Bonds4

About N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine

N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 133350958) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID133350958
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC NameN-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(N(Cc3cccs3)C3CC3)c2c1
InChIInChI=1S/C16H14FN3S/c17-11-3-6-15-14(8-11)16(19-10-18-15)20(12-4-5-12)9-13-2-1-7-21-13/h1-3,6-8,10,12H,4-5,9H2
InChIKeyKLJOQOVUVZSCEQ-UHFFFAOYSA-N
XLogP4.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
CID 61449250
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 133350958) is N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine is Fc1ccc2ncnc(N(Cc3cccs3)C3CC3)c2c1.
What is the InChIKey of N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KLJOQOVUVZSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c17-11-3-6-15-14(8-11)16(19-10-18-15)20(12-4-5-12)9-13-2-1-7-21-13/h1-3,6-8,10,12H,4-5,9H2.
What are the key properties of N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 133350958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).