N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C15H20F3N3O2 — CID 91790420

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCO[C@@H]1COCC[C@H]1Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C15H20F3N3O2/c1-22-12-8-23-7-6-11(12)20-14-19-10-5-3-2-4-9(10)13(21-14)15(16,17)18/h11-12H,2-8H2,1H3,(H,19,20,21)/t11-,12-/m1/s1
InChIKeyAOVRSFJCWYLMAN-VXGBXAGGSA-N
MW331.34 g/mol
LogP2.59
Rot. Bonds3

About N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 91790420) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID91790420
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCO[C@@H]1COCC[C@H]1Nc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C15H20F3N3O2/c1-22-12-8-23-7-6-11(12)20-14-19-10-5-3-2-4-9(10)13(21-14)15(16,17)18/h11-12H,2-8H2,1H3,(H,19,20,21)/t11-,12-/m1/s1
InChIKeyAOVRSFJCWYLMAN-VXGBXAGGSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Related Compounds

4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 171359243
(3R*,4R*)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
CID 70747612
trans-4-Ethoxy-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-ol
CID 91797038
(2S)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 99839249
(2R)-2-(difluoromethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 99839250
2-[2-(2-Methoxyethoxy)ethyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102929696
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103150318
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103150319
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103150320
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 103150838
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103151389
2-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103151390

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 91790420) is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CO[C@@H]1COCC[C@H]1Nc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is AOVRSFJCWYLMAN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-22-12-8-23-7-6-11(12)20-14-19-10-5-3-2-4-9(10)13(21-14)15(16,17)18/h11-12H,2-8H2,1H3,(H,19,20,21)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 91790420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).