2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C16H17F3N6O — CID 131895376

IUPAC2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2nc(N)nc3c2CCCC3)n1
InChIInChI=1S/C16H17F3N6O/c1-8-6-11(16(17,18)19)24-12(22-8)7-21-14(26)13-9-4-2-3-5-10(9)23-15(20)25-13/h6H,2-5,7H2,1H3,(H,21,26)(H2,20,23,25)
InChIKeyKKKONSQBBUVJFK-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131895376) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131895376
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)c2nc(N)nc3c2CCCC3)n1
InChIInChI=1S/C16H17F3N6O/c1-8-6-11(16(17,18)19)24-12(22-8)7-21-14(26)13-9-4-2-3-5-10(9)23-15(20)25-13/h6H,2-5,7H2,1H3,(H,21,26)(H2,20,23,25)
InChIKeyKKKONSQBBUVJFK-UHFFFAOYSA-N
XLogP1.98
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]azepane-4-carboxamide
CID 122562699
3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
CID 97210003
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131933975
2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
CID 72939700
2-amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylcarbamoylamino]butanoic acid
CID 67154320
2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131920115
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131943872
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172674309

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131895376) is 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is Cc1cc(C(F)(F)F)nc(CNC(=O)c2nc(N)nc3c2CCCC3)n1.
What is the InChIKey of 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is KKKONSQBBUVJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-8-6-11(16(17,18)19)24-12(22-8)7-21-14(26)13-9-4-2-3-5-10(9)23-15(20)25-13/h6H,2-5,7H2,1H3,(H,21,26)(H2,20,23,25).
What are the key properties of 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131895376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).