5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine

C10H17ClN4O — CID 80765635

IUPAC5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCOC)n1
InChIInChI=1S/C10H17ClN4O/c1-3-4-13-10-14-7-8(11)9(15-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJNPDUBNXIJAAOX-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.01
Rot. Bonds7

About 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80765635) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80765635
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCCOC)n1
InChIInChI=1S/C10H17ClN4O/c1-3-4-13-10-14-7-8(11)9(15-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJNPDUBNXIJAAOX-UHFFFAOYSA-N
XLogP2.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.01
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

5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
methyl 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80777905
5-chloro-4-N-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
3-[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118369
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80765635) is 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCCOC)n1.
What is the InChIKey of 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JNPDUBNXIJAAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-4-13-10-14-7-8(11)9(15-10)12-5-6-16-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 244.73 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).