3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H17F3N4O — CID 106138062

IUPAC3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-11-18-9(12(13,14)15)5-10(19-11)17-6-7-2-3-8(20)4-7/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyVDVPDJMDDJOWFM-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds4

About 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106138062) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106138062
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-11-18-9(12(13,14)15)5-10(19-11)17-6-7-2-3-8(20)4-7/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19)
InChIKeyVDVPDJMDDJOWFM-UHFFFAOYSA-N
XLogP2.11
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106138062) is 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is VDVPDJMDDJOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-11-18-9(12(13,14)15)5-10(19-11)17-6-7-2-3-8(20)4-7/h5,7-8,20H,2-4,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).