6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine

C12H17N5 — CID 80654504

IUPAC6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-7-5-11(13)15-12(14-7)6-17-10(4)8(2)9(3)16-17/h5H,6H2,1-4H3,(H2,13,14,15)
InChIKeyWMZQIPDTWNTPPQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.54
Rot. Bonds2

About 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine

6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine (PubChem CID 80654504) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
PubChem CID80654504
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-7-5-11(13)15-12(14-7)6-17-10(4)8(2)9(3)16-17/h5H,6H2,1-4H3,(H2,13,14,15)
InChIKeyWMZQIPDTWNTPPQ-UHFFFAOYSA-N
XLogP1.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine (CID 80654504) is 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine is Cc1cc(N)nc(Cn2nc(C)c(C)c2C)n1.
What is the InChIKey of 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is WMZQIPDTWNTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-7-5-11(13)15-12(14-7)6-17-10(4)8(2)9(3)16-17/h5H,6H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine?
6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).