3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine

C13H23N3 — CID 62745255

IUPAC3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCCCc1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C13H23N3/c1-5-7-13-15-10(2)12(11(3)16-13)8-6-9-14-4/h14H,5-9H2,1-4H3
InChIKeyITYSKOFVFYHALZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds6

About 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine

3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine (PubChem CID 62745255) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
PubChem CID62745255
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
SMILESCCCc1nc(C)c(CCCNC)c(C)n1
InChIInChI=1S/C13H23N3/c1-5-7-13-15-10(2)12(11(3)16-13)8-6-9-14-4/h14H,5-9H2,1-4H3
InChIKeyITYSKOFVFYHALZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
3-[2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 63891555
2-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-ethylethanamine
CID 62744926
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
2-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
CID 79412272
3-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55230371
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965289
3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731610

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine (CID 62745255) is 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine is CCCc1nc(C)c(CCCNC)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine?
The InChIKey is ITYSKOFVFYHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-13-15-10(2)12(11(3)16-13)8-6-9-14-4/h14H,5-9H2,1-4H3.
What are the key properties of 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine?
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62745255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).