3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C16H17F3N4O2 — CID 91779527

IUPAC3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(C2CC(O)C2)n1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-9(2-4-12)8-21-14-7-13(22-15(20)23-14)10-5-11(24)6-10/h1-4,7,10-11,24H,5-6,8H2,(H3,20,21,22,23)
InChIKeyKQVHRDRFGABMQM-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91779527) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91779527
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(C2CC(O)C2)n1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-9(2-4-12)8-21-14-7-13(22-15(20)23-14)10-5-11(24)6-10/h1-4,7,10-11,24H,5-6,8H2,(H3,20,21,22,23)
InChIKeyKQVHRDRFGABMQM-UHFFFAOYSA-N
XLogP2.81
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-amino-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777677
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 91760625
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
CID 154902680
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
6-[(3R)-oxolan-3-yl]-4-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 126430229

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91779527) is 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is KQVHRDRFGABMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-9(2-4-12)8-21-14-7-13(22-15(20)23-14)10-5-11(24)6-10/h1-4,7,10-11,24H,5-6,8H2,(H3,20,21,22,23).
What are the key properties of 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 354.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91779527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).