5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine

C15H27ClN4 — CID 115565369

IUPAC5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCC)ncc1Cl
InChIInChI=1S/C15H27ClN4/c1-3-5-6-7-8-9-11-17-14-13(16)12-19-15(20-14)18-10-4-2/h12H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyDKUCRZZCQROYSI-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.72
Rot. Bonds11

About 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine

5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 115565369) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID115565369
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCC)ncc1Cl
InChIInChI=1S/C15H27ClN4/c1-3-5-6-7-8-9-11-17-14-13(16)12-19-15(20-14)18-10-4-2/h12H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyDKUCRZZCQROYSI-UHFFFAOYSA-N
XLogP4.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-4-N-(2,2-dimethylheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839036
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
5-chloro-4-N-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
5-chloro-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814220
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine (CID 115565369) is 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine is CCCCCCCCNc1nc(NCCC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DKUCRZZCQROYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-3-5-6-7-8-9-11-17-14-13(16)12-19-15(20-14)18-10-4-2/h12H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 298.86 g/mol, XLogP of 4.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 115565369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).