N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C20H24F3N5O — CID 131893880

IUPACN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFC(F)(F)c1nc(NCC(c2ccccn2)N2CCOCC2)nc2c1CCCC2
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)18-14-5-1-2-6-15(14)26-19(27-18)25-13-17(16-7-3-4-8-24-16)28-9-11-29-12-10-28/h3-4,7-8,17H,1-2,5-6,9-13H2,(H,25,26,27)
InChIKeyCHLJIDAVBIBXQD-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.25
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 131893880) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID131893880
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFC(F)(F)c1nc(NCC(c2ccccn2)N2CCOCC2)nc2c1CCCC2
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)18-14-5-1-2-6-15(14)26-19(27-18)25-13-17(16-7-3-4-8-24-16)28-9-11-29-12-10-28/h3-4,7-8,17H,1-2,5-6,9-13H2,(H,25,26,27)
InChIKeyCHLJIDAVBIBXQD-UHFFFAOYSA-N
XLogP3.25
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97443802
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 99960169
5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-2-amine
CID 31191896
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56888620
4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72929752
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 46986087
6-methoxy-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-4-amine
CID 95132901
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 131898064
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444515
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 131893880) is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is FC(F)(F)c1nc(NCC(c2ccccn2)N2CCOCC2)nc2c1CCCC2.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is CHLJIDAVBIBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c21-20(22,23)18-14-5-1-2-6-15(14)26-19(27-18)25-13-17(16-7-3-4-8-24-16)28-9-11-29-12-10-28/h3-4,7-8,17H,1-2,5-6,9-13H2,(H,25,26,27).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 407.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 131893880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).