N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide

C14H15F3N4O — CID 5330916

IUPACN-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(NC=O)cc12
InChIInChI=1S/C14H15F3N4O/c1-13(2,3)21-11-9-6-8(18-7-22)4-5-10(9)19-12(20-11)14(15,16)17/h4-7H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMKMRIXXHCXELKE-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.43
Rot. Bonds3

About N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide

N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide (PubChem CID 5330916) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide
PubChem CID5330916
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide
SMILESCC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(NC=O)cc12
InChIInChI=1S/C14H15F3N4O/c1-13(2,3)21-11-9-6-8(18-7-22)4-5-10(9)19-12(20-11)14(15,16)17/h4-7H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMKMRIXXHCXELKE-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Triaminoquinazoline
CID 292661
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
N-methylquinazolin-4-amine
CID 252220
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
N6-benzylquinazoline-2,4,6-triamine
CID 462120
N4-Phenylquinazoline-4,6-diamine
CID 5328187
4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
CID 5328188
4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,7-diamine
CID 5328195
6-Amino-4-[(3-methylphenyl)amino]quinazoline
CID 10220590
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide?
The IUPAC name of N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide (CID 5330916) is N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide.
What is the SMILES notation for N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide?
The canonical SMILES for N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide is CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(NC=O)cc12.
What is the InChIKey of N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide?
The InChIKey is MKMRIXXHCXELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-13(2,3)21-11-9-6-8(18-7-22)4-5-10(9)19-12(20-11)14(15,16)17/h4-7H,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide?
N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide has a molecular weight of 312.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]formamide is sourced from PubChem (CID 5330916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).