N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine

C19H27N5 — CID 112914136

IUPACN-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H27N5/c1-4-23-10-12-24(13-11-23)18-14-16(2)20-19(21-18)22(3)15-17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyXDWQHYRVNOHGQX-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.56
Rot. Bonds5

About N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine

N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 112914136) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID112914136
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C19H27N5/c1-4-23-10-12-24(13-11-23)18-14-16(2)20-19(21-18)22(3)15-17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyXDWQHYRVNOHGQX-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
4-[2-(N-benzylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914606
N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112923726
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112918985
N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
CID 112913848
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 112923645

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine (CID 112914136) is N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine is CCN1CCN(c2cc(C)nc(N(C)Cc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is XDWQHYRVNOHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-23-10-12-24(13-11-23)18-14-16(2)20-19(21-18)22(3)15-17-8-6-5-7-9-17/h5-9,14H,4,10-13,15H2,1-3H3.
What are the key properties of N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine?
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 112914136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).