N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine

C15H27N5 — CID 80833870

IUPACN,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(CC)C(C)C2)c1CC
InChIInChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-8-19(7-3)12(4)10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyJWFHBEWPEUTDSR-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.00
Rot. Bonds5

About N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine

N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80833870) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80833870
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(CC)C(C)C2)c1CC
InChIInChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-8-19(7-3)12(4)10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyJWFHBEWPEUTDSR-UHFFFAOYSA-N
XLogP2.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805279
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
1-ethyl-4-(1H-imidazol-2-yl)-2-methylpiperazine
CID 131162497
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine (CID 80833870) is N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCN(CC)C(C)C2)c1CC.
What is the InChIKey of N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is JWFHBEWPEUTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-13-14(16-6-2)17-11-18-15(13)20-9-8-19(7-3)12(4)10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine?
N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80833870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).