2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine

C10H12N4 — CID 170448703

IUPAC2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine
SMILESCC(C)c1ncc(-c2ccn[nH]2)cn1
InChIInChI=1S/C10H12N4/c1-7(2)10-11-5-8(6-12-10)9-3-4-13-14-9/h3-7H,1-2H3,(H,13,14)
InChIKeyKYZISZFSAAQQES-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds2

About 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine

2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine (PubChem CID 170448703) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine
PubChem CID170448703
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine
SMILESCC(C)c1ncc(-c2ccn[nH]2)cn1
InChIInChI=1S/C10H12N4/c1-7(2)10-11-5-8(6-12-10)9-3-4-13-14-9/h3-7H,1-2H3,(H,13,14)
InChIKeyKYZISZFSAAQQES-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine?
The IUPAC name of 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine (CID 170448703) is 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine?
The canonical SMILES for 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine is CC(C)c1ncc(-c2ccn[nH]2)cn1.
What is the InChIKey of 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine?
The InChIKey is KYZISZFSAAQQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(2)10-11-5-8(6-12-10)9-3-4-13-14-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine?
2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1H-pyrazol-5-yl)pyrimidine is sourced from PubChem (CID 170448703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).