N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C15H18F3N5O — CID 125172834

IUPACN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nn1CCNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyWTKFJEUULNHRSC-LLVKDONJSA-N
MW341.34 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125172834) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125172834
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nn1CCNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21)/t11-/m1/s1
InChIKeyWTKFJEUULNHRSC-LLVKDONJSA-N
XLogP2.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9932325, Example 193
CID 132244742
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125160795
4-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125169706
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125172812
2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125174079
N'-methyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 125177377
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126430489
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126432810
N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 126433348
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126451320
N-(4,4-difluorocyclohexyl)-6-(4,4-difluorooxan-3-yl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206943
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine
CID 132207407

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 125172834) is N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is Cc1cc(C(F)(F)F)nn1CCNc1cc([C@@H]2CCOC2)ncn1.
What is the InChIKey of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is WTKFJEUULNHRSC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-6-13(15(16,17)18)22-23(10)4-3-19-14-7-12(20-9-21-14)11-2-5-24-8-11/h6-7,9,11H,2-5,8H2,1H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 341.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125172834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).