1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine

C13H23N3O — CID 66318571

IUPAC1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(OCC)ncn1
InChIInChI=1S/C13H23N3O/c1-4-7-14-11(5-2)8-12-9-13(17-6-3)16-10-15-12/h9-11,14H,4-8H2,1-3H3
InChIKeyDRLXVODYPHVHJF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.20
Rot. Bonds8

About 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine

1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine (PubChem CID 66318571) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
PubChem CID66318571
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(OCC)ncn1
InChIInChI=1S/C13H23N3O/c1-4-7-14-11(5-2)8-12-9-13(17-6-3)16-10-15-12/h9-11,14H,4-8H2,1-3H3
InChIKeyDRLXVODYPHVHJF-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 66334263
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
CID 66333010
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
CID 66333376
2-(6-ethoxypyrimidin-4-yl)acetaldehyde
CID 83873423
1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200666
N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
CID 66331828
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
N-(2-methoxyethyl)-1-(4-propyl-2-pyridinyl)butan-2-amine
CID 134400904

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine (CID 66318571) is 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1cc(OCC)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine?
The InChIKey is DRLXVODYPHVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-14-11(5-2)8-12-9-13(17-6-3)16-10-15-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine?
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 66318571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).