4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride

C9H16Cl2N4 — CID 18364978

IUPAC4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCc1ccnc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H
InChIKeyTXBXJZSWIGNZPA-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.04
Rot. Bonds1

About 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride

4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 18364978) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID18364978
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCc1ccnc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4.2ClH/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H
InChIKeyTXBXJZSWIGNZPA-UHFFFAOYSA-N
XLogP1.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2-Amino-4-methylpyrimidine
CID 7939
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyrimidine-2-carboximidamide
CID 10398061
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride (CID 18364978) is 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride is Cc1ccnc(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is TXBXJZSWIGNZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13;;/h2-3,10H,4-7H2,1H3;2*1H.
What are the key properties of 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride?
4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 18364978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).