3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine

C10H18N4 — CID 91423819

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
SMILESCN1CCN(CN2C=NC=CC2)CC1
InChIInChI=1S/C10H18N4/c1-12-5-7-13(8-6-12)10-14-4-2-3-11-9-14/h2-3,9H,4-8,10H2,1H3
InChIKeyRTGADKYPYJOMNR-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.05
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine

3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine (PubChem CID 91423819) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
PubChem CID91423819
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
SMILESCN1CCN(CN2C=NC=CC2)CC1
InChIInChI=1S/C10H18N4/c1-12-5-7-13(8-6-12)10-14-4-2-3-11-9-14/h2-3,9H,4-8,10H2,1H3
InChIKeyRTGADKYPYJOMNR-UHFFFAOYSA-N
XLogP0.05
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 2825693
2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]-N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-N-methylethanamine
CID 23154838
N-[3-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]propyl]-1,3-dimethyl-4H-pyrimidin-2-imine
CID 23154848
N-[2-[(1,3-dimethyl-4H-pyrimidin-2-ylidene)amino]ethyl]-1,3-dimethyl-4H-pyrimidin-2-imine
CID 23154879
2-(4-Methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 54066096
3-piperazin-2-yl-4H-pyrimidine
CID 57229577
N-ethyl-N-(4H-pyrimidin-3-ylmethyl)ethanamine
CID 69847454
2-Piperazin-1-yl-1,4-dihydropyrimidine
CID 89128712
N'-[(1Z)-buta-1,3-dienyl]-4-methylpiperazine-1-carboximidamide
CID 89336887
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 129253175
N,N-diethyl-1,3-dimethyl-4H-pyrimidin-3-ium-2-amine
CID 132165358

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine (CID 91423819) is 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine is CN1CCN(CN2C=NC=CC2)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine?
The InChIKey is RTGADKYPYJOMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-12-5-7-13(8-6-12)10-14-4-2-3-11-9-14/h2-3,9H,4-8,10H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine?
3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine is sourced from PubChem (CID 91423819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).