3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine

C13H23N3 — CID 65293399

IUPAC3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1c(C)ncnc1C
InChIInChI=1S/C13H23N3/c1-5-6-14-8-10(2)7-13-11(3)15-9-16-12(13)4/h9-10,14H,5-8H2,1-4H3
InChIKeyLEWIHNWPVLKOJW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.27
Rot. Bonds6

About 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine

3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 65293399) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID65293399
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1c(C)ncnc1C
InChIInChI=1S/C13H23N3/c1-5-6-14-8-10(2)7-13-11(3)15-9-16-12(13)4/h9-10,14H,5-8H2,1-4H3
InChIKeyLEWIHNWPVLKOJW-UHFFFAOYSA-N
XLogP2.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 104516432
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
2-methyl-3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837813
2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 64665620
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine (CID 65293399) is 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1c(C)ncnc1C.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is LEWIHNWPVLKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-14-8-10(2)7-13-11(3)15-9-16-12(13)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine?
3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 65293399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).