4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine

C12H22N4O — CID 80946334

IUPAC4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCCOCC)n1
InChIInChI=1S/C12H22N4O/c1-3-6-11-15-10(13)9-12(16-11)14-7-5-8-17-4-2/h9H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyASMRXVYHGYIICS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.85
Rot. Bonds8

About 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine

4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80946334) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80946334
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCCOCC)n1
InChIInChI=1S/C12H22N4O/c1-3-6-11-15-10(13)9-12(16-11)14-7-5-8-17-4-2/h9H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyASMRXVYHGYIICS-UHFFFAOYSA-N
XLogP1.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954546
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine (CID 80946334) is 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCCCOCC)n1.
What is the InChIKey of 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ASMRXVYHGYIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-6-11-15-10(13)9-12(16-11)14-7-5-8-17-4-2/h9H,3-8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine?
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80946334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).