4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine

C10H18N4 — CID 139986213

IUPAC4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
SMILESCC1(C)C=CNC(N2CCNCC2)=N1
InChIInChI=1S/C10H18N4/c1-10(2)3-4-12-9(13-10)14-7-5-11-6-8-14/h3-4,11H,5-8H2,1-2H3,(H,12,13)
InChIKeyHGVCNYJWGFTMSR-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.14
Rot. Bonds

About 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine

4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine (PubChem CID 139986213) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine.

Molecular Properties

Compound Name4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
PubChem CID139986213
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
SMILESCC1(C)C=CNC(N2CCNCC2)=N1
InChIInChI=1S/C10H18N4/c1-10(2)3-4-12-9(13-10)14-7-5-11-6-8-14/h3-4,11H,5-8H2,1-2H3,(H,12,13)
InChIKeyHGVCNYJWGFTMSR-UHFFFAOYSA-N
XLogP0.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
4-Methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
CID 118973363
4-Methyl-2-methylimino-6-(4-methylpiperazin-1-yl)-1,3-dihydropyrimidin-4-amine
CID 136388158
4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492547
3-methyl-2-piperazin-1-yl-4H-pyrimidine
CID 143573084
6-(4-Ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
CID 144696996
2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 144745253
4-methyl-6-piperazin-1-yl-1H-pyrimidine-2,4-diamine
CID 149683400
4-N,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-diamine
CID 150184202
6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 151379503

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine?
The IUPAC name of 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine (CID 139986213) is 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine.
What is the SMILES notation for 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine?
The canonical SMILES for 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine is CC1(C)C=CNC(N2CCNCC2)=N1.
What is the InChIKey of 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine?
The InChIKey is HGVCNYJWGFTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2)3-4-12-9(13-10)14-7-5-11-6-8-14/h3-4,11H,5-8H2,1-2H3,(H,12,13).
What are the key properties of 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine?
4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine is sourced from PubChem (CID 139986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).