1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine

C12H21N3 — CID 63200666

IUPAC1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cc(CC)ncn1
InChIInChI=1S/C12H21N3/c1-4-6-13-10(3)7-12-8-11(5-2)14-9-15-12/h8-10,13H,4-7H2,1-3H3
InChIKeyXNMITIAGEPMQQX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds6

About 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine

1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine (PubChem CID 63200666) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
PubChem CID63200666
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cc(CC)ncn1
InChIInChI=1S/C12H21N3/c1-4-6-13-10(3)7-12-8-11(5-2)14-9-15-12/h8-10,13H,4-7H2,1-3H3
InChIKeyXNMITIAGEPMQQX-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
CID 63559776
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
N-ethyl-1-(6-methylpyrimidin-4-yl)propan-2-amine
CID 63200457
1-(2-methylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200567
N-propyl-1-pyridazin-3-ylpropan-2-amine
CID 63200569
1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 66334263
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
4-ethyl-6-propan-2-ylpyrimidine
CID 88990217
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143
1-cyclopropyl-2-(6-ethylpyrimidin-4-yl)ethanamine
CID 63353277
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine (CID 63200666) is 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine is CCCNC(C)Cc1cc(CC)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine?
The InChIKey is XNMITIAGEPMQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-13-10(3)7-12-8-11(5-2)14-9-15-12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine?
1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 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)-N-propylpropan-2-amine is sourced from PubChem (CID 63200666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).