N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine

C15H28N4O — CID 82454095

IUPACN',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(NCCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-10-20-14-11-13(16-8-7-9-19(4)5)17-15(18-14)12(2)3/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyRBAIAFCHSFPIKH-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.75
Rot. Bonds9

About N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 82454095) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID82454095
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(NCCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-10-20-14-11-13(16-8-7-9-19(4)5)17-15(18-14)12(2)3/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyRBAIAFCHSFPIKH-UHFFFAOYSA-N
XLogP2.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453924
6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
N-(3-ethoxypropyl)-6-methoxy-2-propan-2-ylpyrimidin-4-amine
CID 82453767

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine (CID 82454095) is N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine is CCCOc1cc(NCCCN(C)C)nc(C(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is RBAIAFCHSFPIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-10-20-14-11-13(16-8-7-9-19(4)5)17-15(18-14)12(2)3/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 82454095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).