N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H17F3N4O — CID 56864271

IUPACN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCCC1=NOC(CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-2-9-7-11(21-20-9)8-18-12-17-6-4-10(19-12)3-5-13(14,15)16/h4,6,11H,2-3,5,7-8H2,1H3,(H,17,18,19)
InChIKeyLNSXLVFBQJPUAP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.94
Rot. Bonds6

About N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56864271) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56864271
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCCC1=NOC(CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H17F3N4O/c1-2-9-7-11(21-20-9)8-18-12-17-6-4-10(19-12)3-5-13(14,15)16/h4,6,11H,2-3,5,7-8H2,1H3,(H,17,18,19)
InChIKeyLNSXLVFBQJPUAP-UHFFFAOYSA-N
XLogP2.94
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine with MolForge

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Related Compounds

(1R*,3R*)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 56743877
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545
N-{[4-(methylsulfonyl)morpholin-2-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865810
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
((2S,4R)-1-methyl-4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino}pyrrolidin-2-yl)methanol
CID 56871290

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56864271) is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CCC1=NOC(CNc2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is LNSXLVFBQJPUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-9-7-11(21-20-9)8-18-12-17-6-4-10(19-12)3-5-13(14,15)16/h4,6,11H,2-3,5,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 302.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56864271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).