N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine

C9H16N4 — CID 61234752

IUPACN'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCc1cc(NCCCN)ncn1
InChIInChI=1S/C9H16N4/c1-2-8-6-9(13-7-12-8)11-5-3-4-10/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGZLUGUQNXVRBQJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds5

About N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine

N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61234752) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61234752
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCc1cc(NCCCN)ncn1
InChIInChI=1S/C9H16N4/c1-2-8-6-9(13-7-12-8)11-5-3-4-10/h6-7H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGZLUGUQNXVRBQJ-UHFFFAOYSA-N
XLogP0.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
N-(2-ethoxyethyl)-6-ethylpyrimidin-4-amine
CID 61236272
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine
CID 72886637
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
CID 72941041
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 126848576
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine (CID 61234752) is N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine is CCc1cc(NCCCN)ncn1.
What is the InChIKey of N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is GZLUGUQNXVRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-6-9(13-7-12-8)11-5-3-4-10/h6-7H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine?
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).