2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C10H17ClN4O — CID 82938019

IUPAC2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ncc(Cl)c(NC(C)CN(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-7(6-15(2)3)13-9-8(11)5-12-10(14-9)16-4/h5,7H,6H2,1-4H3,(H,12,13,14)
InChIKeyQCLWXRPJJSJATD-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.50
Rot. Bonds5

About 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82938019) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82938019
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ncc(Cl)c(NC(C)CN(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-7(6-15(2)3)13-9-8(11)5-12-10(14-9)16-4/h5,7H,6H2,1-4H3,(H,12,13,14)
InChIKeyQCLWXRPJJSJATD-UHFFFAOYSA-N
XLogP1.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82938019) is 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is COc1ncc(Cl)c(NC(C)CN(C)C)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QCLWXRPJJSJATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(6-15(2)3)13-9-8(11)5-12-10(14-9)16-4/h5,7H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 244.73 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82938019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).