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

C15H26N4 — CID 80967980

IUPAC2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H26N4/c1-5-16-13-9-14(19(6-2)10-11(3)4)18-15(17-13)12-7-8-12/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyITHMEXCAZJNUDG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds7

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

2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 80967980) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID80967980
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H26N4/c1-5-16-13-9-14(19(6-2)10-11(3)4)18-15(17-13)12-7-8-12/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyITHMEXCAZJNUDG-UHFFFAOYSA-N
XLogP3.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
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
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 80967980) is 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)CC(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is ITHMEXCAZJNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-16-13-9-14(19(6-2)10-11(3)4)18-15(17-13)12-7-8-12/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.27, 7 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-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80967980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).