2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine

C9H16N4 — CID 83816945

IUPAC2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cnc(CCN)nc1N
InChIInChI=1S/C9H16N4/c1-6(2)7-5-12-8(3-4-10)13-9(7)11/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyPRRPQEOEIHWZMY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine

2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 83816945) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID83816945
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cnc(CCN)nc1N
InChIInChI=1S/C9H16N4/c1-6(2)7-5-12-8(3-4-10)13-9(7)11/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13)
InChIKeyPRRPQEOEIHWZMY-UHFFFAOYSA-N
XLogP0.68
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 84673413
2-(2-aminoethyl)-6-methylpyrrolo[3,4-d]pyrimidine-5,7-dione
CID 82396060
2-(7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)ethanamine
CID 82409935
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
3,4-dichloro-5-propan-2-ylpyridin-2-amine
CID 146482744
5-(4-chlorophenyl)-2-propylpyrimidin-4-amine
CID 62899231
2-(5-ethylpyrimidin-2-yl)ethanamine;hydrochloride
CID 105442920
2-(4-bromopyrimidin-2-yl)ethanamine
CID 105454055
2-(4-ethoxypyrimidin-2-yl)ethanamine
CID 112639157
2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 130494265
5-(aminomethyl)-2-(3-methoxypropyl)pyrimidin-4-amine
CID 65093955
5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine
CID 164837315

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine (CID 83816945) is 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1cnc(CCN)nc1N.
What is the InChIKey of 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is PRRPQEOEIHWZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)7-5-12-8(3-4-10)13-9(7)11/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine?
2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 83816945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).