2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine

C17H30N4 — CID 80961233

IUPAC2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4/c1-5-13(6-2)12-21(8-4)16-11-15(18-7-3)19-17(20-16)14-9-10-14/h11,13-14H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyAXGRHYHQWZGHNN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.05
Rot. Bonds9

About 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine (PubChem CID 80961233) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
PubChem CID80961233
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4/c1-5-13(6-2)12-21(8-4)16-11-15(18-7-3)19-17(20-16)14-9-10-14/h11,13-14H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyAXGRHYHQWZGHNN-UHFFFAOYSA-N
XLogP4.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495067
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine (CID 80961233) is 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)CC(CC)CC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine?
The InChIKey is AXGRHYHQWZGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-13(6-2)12-21(8-4)16-11-15(18-7-3)19-17(20-16)14-9-10-14/h11,13-14H,5-10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).