2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine

C16H27N5 — CID 80983840

IUPAC2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCCC1CN(c2nc(C3CC3)nc(NC)c2C)CCN1C
InChIInChI=1S/C16H27N5/c1-5-13-10-21(9-8-20(13)4)16-11(2)14(17-3)18-15(19-16)12-6-7-12/h12-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyFKGRORNMMWDPKN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.23
Rot. Bonds4

About 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80983840) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80983840
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCCC1CN(c2nc(C3CC3)nc(NC)c2C)CCN1C
InChIInChI=1S/C16H27N5/c1-5-13-10-21(9-8-20(13)4)16-11(2)14(17-3)18-15(19-16)12-6-7-12/h12-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyFKGRORNMMWDPKN-UHFFFAOYSA-N
XLogP2.23
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
[6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80909718
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985
2-cyclopropyl-6-(3-ethylmorpholin-4-yl)-N,5-dimethylpyrimidin-4-amine
CID 80993593
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
2-cyclopropyl-6-(2-ethylimidazol-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80992904
6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 113259067
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206
6-(3,4-dimethylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984292
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80984983
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine (CID 80983840) is 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine is CCC1CN(c2nc(C3CC3)nc(NC)c2C)CCN1C.
What is the InChIKey of 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FKGRORNMMWDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-13-10-21(9-8-20(13)4)16-11(2)14(17-3)18-15(19-16)12-6-7-12/h12-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80983840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).