N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C10H17ClN4 — CID 62476258

IUPACN-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)C)nc(Cl)n1
InChIInChI=1S/C10H17ClN4/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAFSOWWYYAQVERU-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.80
Rot. Bonds5

About N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62476258) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID62476258
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)C)nc(Cl)n1
InChIInChI=1S/C10H17ClN4/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyAFSOWWYYAQVERU-UHFFFAOYSA-N
XLogP1.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 62476258) is N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1cc(NCCCN(C)C)nc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is AFSOWWYYAQVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8-7-9(14-10(11)13-8)12-5-4-6-15(2)3/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62476258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).