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

C12H22N4 — CID 61241880

IUPACN-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCCc1cc(NCCCNCC)ncn1
InChIInChI=1S/C12H22N4/c1-3-6-11-9-12(16-10-15-11)14-8-5-7-13-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBASIEBYXZJTGEF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.84
Rot. Bonds8

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

N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61241880) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61241880
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
SMILESCCCc1cc(NCCCNCC)ncn1
InChIInChI=1S/C12H22N4/c1-3-6-11-9-12(16-10-15-11)14-8-5-7-13-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBASIEBYXZJTGEF-UHFFFAOYSA-N
XLogP1.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.84
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-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine
CID 61239569
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
CID 61241307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine (CID 61241880) is N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine is CCCc1cc(NCCCNCC)ncn1.
What is the InChIKey of N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is BASIEBYXZJTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-6-11-9-12(16-10-15-11)14-8-5-7-13-4-2/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine?
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).