6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine

C14H26N4O2 — CID 44577416

IUPAC6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
SMILESCCOc1cc(N(C)C)nc(NCCCOC(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-6-19-13-10-12(18(4)5)16-14(17-13)15-8-7-9-20-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyYIYDEVMYVYUCMC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.17
Rot. Bonds9

About 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine

6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine (PubChem CID 44577416) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
PubChem CID44577416
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
SMILESCCOc1cc(N(C)C)nc(NCCCOC(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-6-19-13-10-12(18(4)5)16-14(17-13)15-8-7-9-20-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyYIYDEVMYVYUCMC-UHFFFAOYSA-N
XLogP2.17
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxy-4-aminopyrimidine
CID 76789
6-[2-(Diisopropoxyphosphorylmethoxy)ethoxy]pyrimidin-4-amine
CID 493042
2-[2-Amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493053
2-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493050
6-[2-(Diisopropoxyphosphorylmethoxy)ethoxy]pyrimidine-2,4-diamine
CID 10958987
2,4-Diamino-6-methoxypyrimidine
CID 816925
[(1R)-2-(2,6-diaminopyrimidin-4-yl)oxy-1-methyl-ethoxy]methylphosphonic acid
CID 493060
[(1S)-2-(2,6-diaminopyrimidin-4-yl)oxy-1-methyl-ethoxy]methylphosphonic acid
CID 493061
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine (CID 44577416) is 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine is CCOc1cc(N(C)C)nc(NCCCOC(C)C)n1.
What is the InChIKey of 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The InChIKey is YIYDEVMYVYUCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-19-13-10-12(18(4)5)16-14(17-13)15-8-7-9-20-11(2)3/h10-11H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44577416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).