5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine

C13H24ClN5 — CID 106042165

IUPAC5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-5-15-13-17-9-11(14)12(18-13)16-7-6-8-19(4)10(2)3/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyGADIARADBSPIJC-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.70
Rot. Bonds8

About 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine (PubChem CID 106042165) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
PubChem CID106042165
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCCN(C)C(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-5-15-13-17-9-11(14)12(18-13)16-7-6-8-19(4)10(2)3/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyGADIARADBSPIJC-UHFFFAOYSA-N
XLogP2.70
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.70
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-[3-[methyl(propan-2-yl)amino]propyl]-2-N-propylpyrimidine-2,4-diamine
CID 106042072
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
3,5-dichloro-2-N-methyl-6-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2,6-diamine
CID 102757677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine (CID 106042165) is 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCCCN(C)C(C)C)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
The InChIKey is GADIARADBSPIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-5-15-13-17-9-11(14)12(18-13)16-7-6-8-19(4)10(2)3/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106042165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).