N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C15H28N4O2 — CID 82456706

IUPACN-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCc1nc(NCCCN(C)C)cc(OCC(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-21-15-9-13(16-7-6-8-19(3)4)17-14(18-15)11-20-5/h9,12H,6-8,10-11H2,1-5H3,(H,16,17,18)
InChIKeyCNQROPCITLTQCN-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.02
Rot. Bonds10

About N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82456706) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID82456706
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCc1nc(NCCCN(C)C)cc(OCC(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-21-15-9-13(16-7-6-8-19(3)4)17-14(18-15)11-20-5/h9,12H,6-8,10-11H2,1-5H3,(H,16,17,18)
InChIKeyCNQROPCITLTQCN-UHFFFAOYSA-N
XLogP2.02
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456699
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 82456706) is N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is COCc1nc(NCCCN(C)C)cc(OCC(C)C)n1.
What is the InChIKey of N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is CNQROPCITLTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(2)10-21-15-9-13(16-7-6-8-19(3)4)17-14(18-15)11-20-5/h9,12H,6-8,10-11H2,1-5H3,(H,16,17,18).
What are the key properties of N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82456706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).