4-piperazin-1-yl-1,4-dihydropyrimidine

C8H14N4 — CID 91011480

IUPAC4-piperazin-1-yl-1,4-dihydropyrimidine
SMILESC1=CC(N2CCNCC2)N=CN1
InChIInChI=1S/C8H14N4/c1-2-10-7-11-8(1)12-5-3-9-4-6-12/h1-2,7-9H,3-6H2,(H,10,11)
InChIKeyIDEUQSRHHIDRDZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.64
Rot. Bonds1

About 4-piperazin-1-yl-1,4-dihydropyrimidine

4-piperazin-1-yl-1,4-dihydropyrimidine (PubChem CID 91011480) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-piperazin-1-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-1,4-dihydropyrimidine
PubChem CID91011480
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-piperazin-1-yl-1,4-dihydropyrimidine
SMILESC1=CC(N2CCNCC2)N=CN1
InChIInChI=1S/C8H14N4/c1-2-10-7-11-8(1)12-5-3-9-4-6-12/h1-2,7-9H,3-6H2,(H,10,11)
InChIKeyIDEUQSRHHIDRDZ-UHFFFAOYSA-N
XLogP-0.64
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-4H-pyrimidine-3-carbonitrile
CID 53892295
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-piperazin-1-yl-4H-pyrimidine
CID 57175084
3-piperazin-2-yl-4H-pyrimidine
CID 57229577
2-piperazin-1-yl-1H-1,3-diazepine
CID 69037173
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
1-piperazin-1-yl-N-[(E)-prop-1-enyl]methanimine
CID 118489766
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
N'-prop-2-enylpiperazine-1-carboximidamide
CID 123817252
N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 129253175
1-methylidene-3-[(Z)-N'-[(4-methylpiperazin-1-yl)methyl]-N-prop-2-enylcarbamimidoyl]-2-prop-2-enylguanidine
CID 142101601

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1,4-dihydropyrimidine?
The IUPAC name of 4-piperazin-1-yl-1,4-dihydropyrimidine (CID 91011480) is 4-piperazin-1-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-1,4-dihydropyrimidine?
The canonical SMILES for 4-piperazin-1-yl-1,4-dihydropyrimidine is C1=CC(N2CCNCC2)N=CN1.
What is the InChIKey of 4-piperazin-1-yl-1,4-dihydropyrimidine?
The InChIKey is IDEUQSRHHIDRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-10-7-11-8(1)12-5-3-9-4-6-12/h1-2,7-9H,3-6H2,(H,10,11).
What are the key properties of 4-piperazin-1-yl-1,4-dihydropyrimidine?
4-piperazin-1-yl-1,4-dihydropyrimidine has a molecular weight of 166.23 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 91011480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).