5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine

C12H21ClN4O2 — CID 80814220

IUPAC5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCOCCOC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-4-15-12-16-9-10(13)11(17-12)14-5-6-19-8-7-18-2/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyKMSXNDNIEFNEBP-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.03
Rot. Bonds10

About 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80814220) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80814220
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCOCCOC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-4-15-12-16-9-10(13)11(17-12)14-5-6-19-8-7-18-2/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyKMSXNDNIEFNEBP-UHFFFAOYSA-N
XLogP2.03
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80777905
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
5-chloro-4-N-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
3-[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118369
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80814220) is 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCCOCCOC)n1.
What is the InChIKey of 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KMSXNDNIEFNEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-3-4-15-12-16-9-10(13)11(17-12)14-5-6-19-8-7-18-2/h9H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80814220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).