1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine

C9H16N4 — CID 116974283

IUPAC1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
SMILESCCc1cnc(NCC(C)N)nc1
InChIInChI=1S/C9H16N4/c1-3-8-5-12-9(13-6-8)11-4-7(2)10/h5-7H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyWAPBYXIIPXWZJU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds4

About 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine

1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine (PubChem CID 116974283) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
PubChem CID116974283
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
SMILESCCc1cnc(NCC(C)N)nc1
InChIInChI=1S/C9H16N4/c1-3-8-5-12-9(13-6-8)11-4-7(2)10/h5-7H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyWAPBYXIIPXWZJU-UHFFFAOYSA-N
XLogP0.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
CID 116974540
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899
2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
CID 116975578
5-ethyl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
CID 72937788
1-N-(thiadiazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
CID 83834802
3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 97192755
3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 106287064
1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
CID 116977344
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974314
1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974333
5-ethyl-2-propan-2-ylpyrimidine
CID 58333368

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine (CID 116974283) is 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine is CCc1cnc(NCC(C)N)nc1.
What is the InChIKey of 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is WAPBYXIIPXWZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-8-5-12-9(13-6-8)11-4-7(2)10/h5-7H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine?
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 116974283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).