8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine

C19H13ClF3N7 — CID 166567992

IUPAC8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2c(Cl)cc(C(F)(F)F)cc12)c1nccnc1-c1ncccn1
InChIInChI=1S/C19H13ClF3N7/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(19(21,22)23)8-13(20)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30)
InChIKeyLPRWOUXWYGPPML-UHFFFAOYSA-N
MW431.81 g/mol
LogP4.72
Rot. Bonds4

About 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine

8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine (PubChem CID 166567992) has the molecular formula C19H13ClF3N7 and a molecular weight of 431.81 g/mol. Its IUPAC name is 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine
PubChem CID166567992
Molecular FormulaC19H13ClF3N7
Molecular Weight431.81 g/mol
Exact Mass431.09
IUPAC Name8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2c(Cl)cc(C(F)(F)F)cc12)c1nccnc1-c1ncccn1
InChIInChI=1S/C19H13ClF3N7/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(19(21,22)23)8-13(20)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30)
InChIKeyLPRWOUXWYGPPML-UHFFFAOYSA-N
XLogP4.72
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-8-(trifluoromethoxy)quinazolin-4-amine
CID 166567944
6-bromo-8-(difluoromethoxy)-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]quinazolin-4-amine
CID 166568131
8-bromo-N-[1-[3-[5-(difluoromethoxy)-2-pyridinyl]pyrazin-2-yl]ethyl]-6-(trifluoromethyl)quinazolin-4-amine
CID 166567899
2-[3-[1-[[6-chloro-8-(trifluoromethyl)quinazolin-4-yl]amino]ethyl]pyrazin-2-yl]-1,3-thiazole-5-carbonitrile
CID 166541976
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]urea
CID 174222128
3-chloro-N-[(1R)-1-(3-pyridin-2-ylpyrazin-2-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 175763170
6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 86093336
6-[3-[1-[[7-chloro-5-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]ethyl]pyrazin-2-yl]pyridine-3-carbonitrile
CID 163298613
8-bromo-6-chloro-N-[1-[3-(triazol-2-yl)pyrazin-2-yl]ethyl]quinazolin-4-amine
CID 166568044
3-cyclopropylsulfonyl-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 164779185
6-[3-[1-[[8-chloro-6-(trifluoromethyl)quinazolin-4-yl]-(cyclopropylmethyl)amino]ethyl]pyrazin-2-yl]pyridine-3-carbonitrile
CID 166568091
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 171813894

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine (CID 166567992) is 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine is CC(Nc1ncnc2c(Cl)cc(C(F)(F)F)cc12)c1nccnc1-c1ncccn1.
What is the InChIKey of 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is LPRWOUXWYGPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N7/c1-10(14-16(25-6-5-24-14)18-26-3-2-4-27-18)30-17-12-7-11(19(21,22)23)8-13(20)15(12)28-9-29-17/h2-10H,1H3,(H,28,29,30).
What are the key properties of 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine?
8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 431.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-6-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 166567992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).