4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine

C13H23N3O3 — CID 104568288

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCOCCOC)n1
InChIInChI=1S/C13H23N3O3/c1-4-5-14-13-15-10-11(2)12(16-13)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyGWLOWJZXXRJROU-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.65
Rot. Bonds10

About 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine

4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 104568288) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
PubChem CID104568288
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCOCCOC)n1
InChIInChI=1S/C13H23N3O3/c1-4-5-14-13-15-10-11(2)12(16-13)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyGWLOWJZXXRJROU-UHFFFAOYSA-N
XLogP1.65
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.65
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

N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80871082
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 115506001
[5-methyl-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80925219
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine (CID 104568288) is 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(OCCOCCOC)n1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is GWLOWJZXXRJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-5-14-13-15-10-11(2)12(16-13)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 104568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).