2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

C14H21F3N6 — CID 150113032

IUPAC2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCCCCn1ncc(C2(N)N=CC(C(F)(F)F)=C(NC)N2)c1C
InChIInChI=1S/C14H21F3N6/c1-4-5-6-23-9(2)10(8-21-23)14(18)20-7-11(13(15,16)17)12(19-3)22-14/h7-8,19,22H,4-6,18H2,1-3H3
InChIKeyVAVVNBUOHTVEJF-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.73
Rot. Bonds5

About 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (PubChem CID 150113032) has the molecular formula C14H21F3N6 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
PubChem CID150113032
Molecular FormulaC14H21F3N6
Molecular Weight330.36 g/mol
Exact Mass330.18
IUPAC Name2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCCCCn1ncc(C2(N)N=CC(C(F)(F)F)=C(NC)N2)c1C
InChIInChI=1S/C14H21F3N6/c1-4-5-6-23-9(2)10(8-21-23)14(18)20-7-11(13(15,16)17)12(19-3)22-14/h7-8,19,22H,4-6,18H2,1-3H3
InChIKeyVAVVNBUOHTVEJF-UHFFFAOYSA-N
XLogP1.73
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (CID 150113032) is 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is CCCCn1ncc(C2(N)N=CC(C(F)(F)F)=C(NC)N2)c1C.
What is the InChIKey of 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The InChIKey is VAVVNBUOHTVEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N6/c1-4-5-6-23-9(2)10(8-21-23)14(18)20-7-11(13(15,16)17)12(19-3)22-14/h7-8,19,22H,4-6,18H2,1-3H3.
What are the key properties of 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine has a molecular weight of 330.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-5-methylpyrazol-4-yl)-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 150113032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).