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

C14H19F3N6O — CID 67818788

IUPAC2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C(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)
InChIKeyMHOPIRARAOAFTG-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.99
Rot. Bonds6

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

2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 67818788) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID67818788
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C(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)
InChIKeyMHOPIRARAOAFTG-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 67818788) is 2-N-[1-(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-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C(C)COC)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MHOPIRARAOAFTG-UHFFFAOYSA-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).
What are the key properties of 2-N-[1-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-(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-(1-methoxypropan-2-yl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67818788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).