2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine

C14H25N3 — CID 63559776

IUPAC2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1cc(CC)ncn1
InChIInChI=1S/C14H25N3/c1-5-8-15-13(7-3)11(4)14-9-12(6-2)16-10-17-14/h9-11,13,15H,5-8H2,1-4H3
InChIKeyWTRJKVUBLYJSII-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds7

About 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine

2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine (PubChem CID 63559776) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
PubChem CID63559776
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1cc(CC)ncn1
InChIInChI=1S/C14H25N3/c1-5-8-15-13(7-3)11(4)14-9-12(6-2)16-10-17-14/h9-11,13,15H,5-8H2,1-4H3
InChIKeyWTRJKVUBLYJSII-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200666
4-ethyl-6-propan-2-ylpyrimidine
CID 88990217
3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine
CID 63200379
4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
CID 63197188
1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpentan-3-amine
CID 63617907
2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
CID 82693268
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
CID 79718140
2-amino-1-(6-ethylpyrimidin-4-yl)ethanol
CID 83873621
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
2-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine (CID 63559776) is 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1cc(CC)ncn1.
What is the InChIKey of 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine?
The InChIKey is WTRJKVUBLYJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-8-15-13(7-3)11(4)14-9-12(6-2)16-10-17-14/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine?
2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 63559776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).