1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine

C15H27N3 — CID 63202291

IUPAC1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(CC)ncn1)C(C)(C)C
InChIInChI=1S/C15H27N3/c1-6-8-16-14(15(3,4)5)10-13-9-12(7-2)17-11-18-13/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyXYGPUZYAYXPDSB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.00
Rot. Bonds6

About 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine

1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 63202291) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID63202291
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(CC)ncn1)C(C)(C)C
InChIInChI=1S/C15H27N3/c1-6-8-16-14(15(3,4)5)10-13-9-12(7-2)17-11-18-13/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyXYGPUZYAYXPDSB-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216
1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200666
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
3,3-dimethyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine
CID 63202380
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
CID 63559776
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine (CID 63202291) is 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(Cc1cc(CC)ncn1)C(C)(C)C.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is XYGPUZYAYXPDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-16-14(15(3,4)5)10-13-9-12(7-2)17-11-18-13/h9,11,14,16H,6-8,10H2,1-5H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine?
1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 63202291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).