6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine

C17H19F3N4 — CID 67725562

IUPAC6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1/C=C\C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4/c1-10-13(14(21)24-15(22)23-10)8-9-16(2,3)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3,(H4,21,22,23,24)/b9-8-
InChIKeyWUYVLJVFBCELRT-HJWRWDBZSA-N
MW336.36 g/mol
LogP3.96
Rot. Bonds3

About 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine

6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine (PubChem CID 67725562) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
PubChem CID67725562
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1/C=C\C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4/c1-10-13(14(21)24-15(22)23-10)8-9-16(2,3)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3,(H4,21,22,23,24)/b9-8-
InChIKeyWUYVLJVFBCELRT-HJWRWDBZSA-N
XLogP3.96
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine (CID 67725562) is 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1/C=C\C(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine?
The InChIKey is WUYVLJVFBCELRT-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-10-13(14(21)24-15(22)23-10)8-9-16(2,3)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3,(H4,21,22,23,24)/b9-8-.
What are the key properties of 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine?
6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine has a molecular weight of 336.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67725562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).