4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine

C12H20N4 — CID 135299357

IUPAC4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCC(C)N1CCN(Cc2ccncn2)CC1
InChIInChI=1S/C12H20N4/c1-11(2)16-7-5-15(6-8-16)9-12-3-4-13-10-14-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyBAQZQHGXIPOTEI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.00
Rot. Bonds3

About 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine

4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 135299357) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
PubChem CID135299357
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCC(C)N1CCN(Cc2ccncn2)CC1
InChIInChI=1S/C12H20N4/c1-11(2)16-7-5-15(6-8-16)9-12-3-4-13-10-14-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyBAQZQHGXIPOTEI-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine (CID 135299357) is 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine is CC(C)N1CCN(Cc2ccncn2)CC1.
What is the InChIKey of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is BAQZQHGXIPOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-11(2)16-7-5-15(6-8-16)9-12-3-4-13-10-14-12/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine?
4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 135299357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).