1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine

C14H23N7 — CID 120969981

IUPAC1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N7/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14/h2-4H,5-12H2,1H3,(H,17,18)
InChIKeyRRBMVAWPLALLPO-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.51
Rot. Bonds4

About 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969981) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969981
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N7/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14/h2-4H,5-12H2,1H3,(H,17,18)
InChIKeyRRBMVAWPLALLPO-UHFFFAOYSA-N
XLogP-0.51
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969980
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969889
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969888
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62575755
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 56815524
5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 55830573
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine (CID 120969981) is 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is RRBMVAWPLALLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14/h2-4H,5-12H2,1H3,(H,17,18).
What are the key properties of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).