4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine

C15H21N5 — CID 110101288

IUPAC4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCC(C)n1nccc1-c1cc(CC2CCNC2)ncn1
InChIInChI=1S/C15H21N5/c1-11(2)20-15(4-6-19-20)14-8-13(17-10-18-14)7-12-3-5-16-9-12/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3
InChIKeyFPYFACAVUOANJF-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.07
Rot. Bonds4

About 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine

4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine (PubChem CID 110101288) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
PubChem CID110101288
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCC(C)n1nccc1-c1cc(CC2CCNC2)ncn1
InChIInChI=1S/C15H21N5/c1-11(2)20-15(4-6-19-20)14-8-13(17-10-18-14)7-12-3-5-16-9-12/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3
InChIKeyFPYFACAVUOANJF-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The IUPAC name of 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine (CID 110101288) is 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine is CC(C)n1nccc1-c1cc(CC2CCNC2)ncn1.
What is the InChIKey of 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
The InChIKey is FPYFACAVUOANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)20-15(4-6-19-20)14-8-13(17-10-18-14)7-12-3-5-16-9-12/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine?
4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 110101288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).