N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C13H24N4O — CID 82454057

IUPACN-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCCOc1cc(NCCN(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-13-10-12(14-7-8-17(3)4)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeySZXZSMSJOOECKX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.80
Rot. Bonds8

About N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 82454057) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID82454057
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCCOc1cc(NCCN(C)C)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-9-18-13-10-12(14-7-8-17(3)4)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeySZXZSMSJOOECKX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
6-[2-(dimethylamino)-2-methylpropoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80937326
N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 82454057) is N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CCCOc1cc(NCCN(C)C)nc(CC)n1.
What is the InChIKey of N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SZXZSMSJOOECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-9-18-13-10-12(14-7-8-17(3)4)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82454057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).