2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine

C10H16N4 — CID 82241093

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1nn(C)c(C)c1C1=NCCCN1
InChIInChI=1S/C10H16N4/c1-7-9(8(2)14(3)13-7)10-11-5-4-6-12-10/h4-6H2,1-3H3,(H,11,12)
InChIKeyVYNHPNPVHXPFIF-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.78
Rot. Bonds1

About 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine

2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 82241093) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID82241093
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCc1nn(C)c(C)c1C1=NCCCN1
InChIInChI=1S/C10H16N4/c1-7-9(8(2)14(3)13-7)10-11-5-4-6-12-10/h4-6H2,1-3H3,(H,11,12)
InChIKeyVYNHPNPVHXPFIF-UHFFFAOYSA-N
XLogP0.78
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine (CID 82241093) is 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine is Cc1nn(C)c(C)c1C1=NCCCN1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is VYNHPNPVHXPFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-9(8(2)14(3)13-7)10-11-5-4-6-12-10/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine?
2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 192.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82241093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).