3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine

C16H22N4 — CID 62745259

IUPAC3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(-c2cccnc2)nc1C
InChIInChI=1S/C16H22N4/c1-4-17-9-6-8-15-12(2)19-16(20-13(15)3)14-7-5-10-18-11-14/h5,7,10-11,17H,4,6,8-9H2,1-3H3
InChIKeyHQHAGWASNQWSPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds6

About 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine

3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine (PubChem CID 62745259) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
PubChem CID62745259
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nc(-c2cccnc2)nc1C
InChIInChI=1S/C16H22N4/c1-4-17-9-6-8-15-12(2)19-16(20-13(15)3)14-7-5-10-18-11-14/h5,7,10-11,17H,4,6,8-9H2,1-3H3
InChIKeyHQHAGWASNQWSPP-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
CID 62745258
3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744216
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]-2-methylpropan-2-amine
CID 62744601
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
N,N-diethyl-5-[3-(ethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 55113584
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine (CID 62745259) is 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine is CCNCCCc1c(C)nc(-c2cccnc2)nc1C.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine?
The InChIKey is HQHAGWASNQWSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-17-9-6-8-15-12(2)19-16(20-13(15)3)14-7-5-10-18-11-14/h5,7,10-11,17H,4,6,8-9H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine?
3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62745259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).