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

C15H27N3O — CID 116776134

IUPAC2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)(CC)OC)nc(C)c1C
InChIInChI=1S/C15H27N3O/c1-7-10-16-13-11(4)12(5)17-14(18-13)15(8-2,9-3)19-6/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyMFMILOHNBDWIDJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.58
Rot. Bonds7

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

2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 116776134) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID116776134
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(CC)(CC)OC)nc(C)c1C
InChIInChI=1S/C15H27N3O/c1-7-10-16-13-11(4)12(5)17-14(18-13)15(8-2,9-3)19-6/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyMFMILOHNBDWIDJ-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(2-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 79197133
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
[2-(3-methoxypentan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777670
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
2-(2-ethoxypropan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 116728793
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 116776134) is 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(CC)(CC)OC)nc(C)c1C.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is MFMILOHNBDWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-10-16-13-11(4)12(5)17-14(18-13)15(8-2,9-3)19-6/h7-10H2,1-6H3,(H,16,17,18).
What are the key properties of 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).