6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

C20H27N5 — CID 113259067

IUPAC6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C20H27N5/c1-15-18(21-2)22-19(17-8-9-17)23-20(15)25-12-10-24(11-13-25)14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,21,22,23)
InChIKeyRMTXCSFEPPCMFS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.03
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine

6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 113259067) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
PubChem CID113259067
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C20H27N5/c1-15-18(21-2)22-19(17-8-9-17)23-20(15)25-12-10-24(11-13-25)14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,21,22,23)
InChIKeyRMTXCSFEPPCMFS-UHFFFAOYSA-N
XLogP3.03
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-cyclopropyl-6-(2-ethylimidazol-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80992904
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
4-(4-benzylpiperazin-1-yl)-N,6-dimethyl-5-nitropyrimidin-2-amine
CID 114043819
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988650
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine (CID 113259067) is 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(N2CCN(Cc3ccccc3)CC2)c1C.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is RMTXCSFEPPCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-15-18(21-2)22-19(17-8-9-17)23-20(15)25-12-10-24(11-13-25)14-16-6-4-3-5-7-16/h3-7,17H,8-14H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine?
6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 113259067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).