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

C13H24N4O — CID 82454010

IUPACN',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-13-10-12(15-11(2)16-13)14-7-6-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyQYBVJJLRYXGANI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds8

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

N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 82454010) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID82454010
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCCOc1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-13-10-12(15-11(2)16-13)14-7-6-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyQYBVJJLRYXGANI-UHFFFAOYSA-N
XLogP1.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
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

2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
N',N'-dimethyl-N-(2-propan-2-yl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454095
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine (CID 82454010) is N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine is CCCOc1cc(NCCCN(C)C)nc(C)n1.
What is the InChIKey of N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is QYBVJJLRYXGANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-9-18-13-10-12(15-11(2)16-13)14-7-6-8-17(3)4/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 8 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-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 82454010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).