N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C11H14F3N3O — CID 95558339

IUPACN-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N[C@@H]2CCOC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyLQORODBHQFBGGX-SECBINFHSA-N
MW261.25 g/mol
LogP2.17
Rot. Bonds4

About N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 95558339) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID95558339
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N[C@@H]2CCOC2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyLQORODBHQFBGGX-SECBINFHSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864640
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866225
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
CID 76709052
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95561128
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 95558339) is N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCc1ccnc(N[C@@H]2CCOC2)n1.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is LQORODBHQFBGGX-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)4-1-8-2-5-15-10(16-8)17-9-3-6-18-7-9/h2,5,9H,1,3-4,6-7H2,(H,15,16,17)/t9-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 95558339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).