4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine

C16H24N4 — CID 138722364

IUPAC4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine
SMILESCc1cc(C(C)C)n(CCC(C)c2cncnc2C)n1
InChIInChI=1S/C16H24N4/c1-11(2)16-8-13(4)19-20(16)7-6-12(3)15-9-17-10-18-14(15)5/h8-12H,6-7H2,1-5H3
InChIKeyDUTJKADSEGVKOZ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.61
Rot. Bonds5

About 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine

4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine (PubChem CID 138722364) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine
PubChem CID138722364
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine
SMILESCc1cc(C(C)C)n(CCC(C)c2cncnc2C)n1
InChIInChI=1S/C16H24N4/c1-11(2)16-8-13(4)19-20(16)7-6-12(3)15-9-17-10-18-14(15)5/h8-12H,6-7H2,1-5H3
InChIKeyDUTJKADSEGVKOZ-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine?
The IUPAC name of 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine (CID 138722364) is 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine.
What is the SMILES notation for 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine?
The canonical SMILES for 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine is Cc1cc(C(C)C)n(CCC(C)c2cncnc2C)n1.
What is the InChIKey of 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine?
The InChIKey is DUTJKADSEGVKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)16-8-13(4)19-20(16)7-6-12(3)15-9-17-10-18-14(15)5/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine?
4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine has a molecular weight of 272.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine is sourced from PubChem (CID 138722364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).