N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

C13H24N4O — CID 114134754

IUPACN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccnc(NCCN(C)C(C)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16)
InChIKeyMVTKQOPMJHWMQN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds8

About N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 114134754) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID114134754
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccnc(NCCN(C)C(C)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16)
InChIKeyMVTKQOPMJHWMQN-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 115974608
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 114134754) is N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is CCOc1ccnc(NCCN(C)C(C)CC)n1.
What is the InChIKey of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is MVTKQOPMJHWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16).
What are the key properties of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114134754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).