5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine

C14H26N4 — CID 113388556

IUPAC5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
SMILESCCC(C)CN(CC)c1ncc(CC(C)N)cn1
InChIInChI=1S/C14H26N4/c1-5-11(3)10-18(6-2)14-16-8-13(9-17-14)7-12(4)15/h8-9,11-12H,5-7,10,15H2,1-4H3
InChIKeyQSSKQNRFXFMAIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.24
Rot. Bonds7

About 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine

5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine (PubChem CID 113388556) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
PubChem CID113388556
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
SMILESCCC(C)CN(CC)c1ncc(CC(C)N)cn1
InChIInChI=1S/C14H26N4/c1-5-11(3)10-18(6-2)14-16-8-13(9-17-14)7-12(4)15/h8-9,11-12H,5-7,10,15H2,1-4H3
InChIKeyQSSKQNRFXFMAIE-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
CID 116648254
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79481188
[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184985
5-(2-aminobutyl)-N,N-dipropylpyrimidin-2-amine
CID 113388464
5-(aminomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 80635400
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
CID 79479930
2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,5-diamine
CID 79477624
5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633292
5-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-methylpyrimidin-2-amine
CID 113388491
5-(2-aminopropyl)-N-benzyl-N-ethylpyridin-2-amine
CID 80633726

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine (CID 113388556) is 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine is CCC(C)CN(CC)c1ncc(CC(C)N)cn1.
What is the InChIKey of 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The InChIKey is QSSKQNRFXFMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-11(3)10-18(6-2)14-16-8-13(9-17-14)7-12(4)15/h8-9,11-12H,5-7,10,15H2,1-4H3.
What are the key properties of 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 113388556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).