N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H18ClF3N4O — CID 69232407

IUPACN-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1CNC[C@H]1CCCO1
InChIInChI=1S/C17H18ClF3N4O/c18-12-3-1-4-13(7-12)24-16-23-9-11(15(25-16)17(19,20)21)8-22-10-14-5-2-6-26-14/h1,3-4,7,9,14,22H,2,5-6,8,10H2,(H,23,24,25)/t14-/m1/s1
InChIKeyUYVCAXQQBRHODG-CQSZACIVSA-N
MW386.81 g/mol
LogP4.16
Rot. Bonds6

About N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69232407) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69232407
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1CNC[C@H]1CCCO1
InChIInChI=1S/C17H18ClF3N4O/c18-12-3-1-4-13(7-12)24-16-23-9-11(15(25-16)17(19,20)21)8-22-10-14-5-2-6-26-14/h1,3-4,7,9,14,22H,2,5-6,8,10H2,(H,23,24,25)/t14-/m1/s1
InChIKeyUYVCAXQQBRHODG-CQSZACIVSA-N
XLogP4.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 11509091
[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920
N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59825953
3-N-(3-chlorophenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944446
[1-[[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methanol;formic acid
CID 11575936
N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-propan-2-ylpyrimidin-2-amine;hydrochloride
CID 11639816
1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
CID 59825980
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
4-N-(3-chlorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 41148410
5-bromo-2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 59354508
1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 114908402

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 69232407) is N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1CNC[C@H]1CCCO1.
What is the InChIKey of N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UYVCAXQQBRHODG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c18-12-3-1-4-13(7-12)24-16-23-9-11(15(25-16)17(19,20)21)8-22-10-14-5-2-6-26-14/h1,3-4,7,9,14,22H,2,5-6,8,10H2,(H,23,24,25)/t14-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 386.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69232407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).