4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine

C17H28N4 — CID 56710749

IUPAC4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine
SMILESCCCCC1CCCN1c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C17H28N4/c1-2-3-5-15-6-4-11-21(15)17-12-16(19-13-20-17)14-7-9-18-10-8-14/h12-15,18H,2-11H2,1H3
InChIKeyZRGLGBBMPBFAIJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.10
Rot. Bonds5

About 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine

4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine (PubChem CID 56710749) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine
PubChem CID56710749
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine
SMILESCCCCC1CCCN1c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C17H28N4/c1-2-3-5-15-6-4-11-21(15)17-12-16(19-13-20-17)14-7-9-18-10-8-14/h12-15,18H,2-11H2,1H3
InChIKeyZRGLGBBMPBFAIJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine?
The IUPAC name of 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine (CID 56710749) is 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine is CCCCC1CCCN1c1cc(C2CCNCC2)ncn1.
What is the InChIKey of 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine?
The InChIKey is ZRGLGBBMPBFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-3-5-15-6-4-11-21(15)17-12-16(19-13-20-17)14-7-9-18-10-8-14/h12-15,18H,2-11H2,1H3.
What are the key properties of 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine?
4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine has a molecular weight of 288.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylpyrrolidin-1-yl)-6-piperidin-4-ylpyrimidine is sourced from PubChem (CID 56710749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).