2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine

C16H22N4 — CID 166750742

IUPAC2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
SMILESCCC(C)c1nccc(-c2cnn(C)c2CC2CC2)n1
InChIInChI=1S/C16H22N4/c1-4-11(2)16-17-8-7-14(19-16)13-10-18-20(3)15(13)9-12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyOHPZJHXILJFKFI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds5

About 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine

2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine (PubChem CID 166750742) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
PubChem CID166750742
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
SMILESCCC(C)c1nccc(-c2cnn(C)c2CC2CC2)n1
InChIInChI=1S/C16H22N4/c1-4-11(2)16-17-8-7-14(19-16)13-10-18-20(3)15(13)9-12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3
InChIKeyOHPZJHXILJFKFI-UHFFFAOYSA-N
XLogP3.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The IUPAC name of 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine (CID 166750742) is 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine.
What is the SMILES notation for 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The canonical SMILES for 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine is CCC(C)c1nccc(-c2cnn(C)c2CC2CC2)n1.
What is the InChIKey of 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
The InChIKey is OHPZJHXILJFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-11(2)16-17-8-7-14(19-16)13-10-18-20(3)15(13)9-12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine?
2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine is sourced from PubChem (CID 166750742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).