2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H19F3N6O — CID 69083737

IUPAC2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn([C@H](C)COC)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H19F3N6O/c1-8(7-24-4)23-6-11(9(2)22-23)20-13-19-5-10(14(15,16)17)12(18-3)21-13/h5-6,8H,7H2,1-4H3,(H2,18,19,20,21)/t8-/m1/s1
InChIKeyMHOPIRARAOAFTG-MRVPVSSYSA-N
MW344.34 g/mol
LogP2.99
Rot. Bonds6

About 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69083737) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69083737
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn([C@H](C)COC)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H19F3N6O/c1-8(7-24-4)23-6-11(9(2)22-23)20-13-19-5-10(14(15,16)17)12(18-3)21-13/h5-6,8H,7H2,1-4H3,(H2,18,19,20,21)/t8-/m1/s1
InChIKeyMHOPIRARAOAFTG-MRVPVSSYSA-N
XLogP2.99
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69083737) is 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn([C@H](C)COC)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MHOPIRARAOAFTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-8(7-24-4)23-6-11(9(2)22-23)20-13-19-5-10(14(15,16)17)12(18-3)21-13/h5-6,8H,7H2,1-4H3,(H2,18,19,20,21)/t8-/m1/s1.
What are the key properties of 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 344.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(2R)-1-methoxypropan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69083737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).