6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine

C15H20F3N7 — CID 133486848

IUPAC6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCN(CC(F)(F)F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20F3N7/c16-15(17,18)10-24-6-2-11(3-7-24)9-20-12-8-13(23-14(19)22-12)25-5-1-4-21-25/h1,4-5,8,11H,2-3,6-7,9-10H2,(H3,19,20,22,23)
InChIKeyYQKHMYVSZBDLNI-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.93
Rot. Bonds5

About 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine

6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 133486848) has the molecular formula C15H20F3N7 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
PubChem CID133486848
Molecular FormulaC15H20F3N7
Molecular Weight355.37 g/mol
Exact Mass355.17
IUPAC Name6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCN(CC(F)(F)F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20F3N7/c16-15(17,18)10-24-6-2-11(3-7-24)9-20-12-8-13(23-14(19)22-12)25-5-1-4-21-25/h1,4-5,8,11H,2-3,6-7,9-10H2,(H3,19,20,22,23)
InChIKeyYQKHMYVSZBDLNI-UHFFFAOYSA-N
XLogP1.93
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133454093
6-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-2,6-diamine
CID 80647041
4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 97158743
2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133486689
6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 133486674
2-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]quinazoline-2,4-diamine
CID 133486693
6-pyrazol-1-yl-4-N-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 136532820
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine (CID 133486848) is 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine is Nc1nc(NCC2CCN(CC(F)(F)F)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is YQKHMYVSZBDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7/c16-15(17,18)10-24-6-2-11(3-7-24)9-20-12-8-13(23-14(19)22-12)25-5-1-4-21-25/h1,4-5,8,11H,2-3,6-7,9-10H2,(H3,19,20,22,23).
What are the key properties of 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine?
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 355.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133486848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).