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

C12H15ClF3N3O — CID 114951014

IUPAC1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-11(20)4-2-3-5-11)9-6-8(12(14,15)16)17-10(13)18-9/h6,20H,2-5,7H2,1H3
InChIKeyPWCDYKHUIDCFMA-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.89
Rot. Bonds3

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

1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114951014) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114951014
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-11(20)4-2-3-5-11)9-6-8(12(14,15)16)17-10(13)18-9/h6,20H,2-5,7H2,1H3
InChIKeyPWCDYKHUIDCFMA-UHFFFAOYSA-N
XLogP2.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 114562244
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 106768477
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562632
2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
CID 114949848
2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954053
2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562642
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562672
2-chloro-N-methyl-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562345

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114951014) is 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PWCDYKHUIDCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19(7-11(20)4-2-3-5-11)9-6-8(12(14,15)16)17-10(13)18-9/h6,20H,2-5,7H2,1H3.
What are the key properties of 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 309.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114951014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).