N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C14H25N3O — CID 114206482

IUPACN-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCOC(C)(C)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H25N3O/c1-7-18-14(5,6)13-16-9-12(11(4)17-13)8-15-10(2)3/h9-10,15H,7-8H2,1-6H3
InChIKeyXJCAKBKYFMHWCJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206482) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206482
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCOC(C)(C)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H25N3O/c1-7-18-14(5,6)13-16-9-12(11(4)17-13)8-15-10(2)3/h9-10,15H,7-8H2,1-6H3
InChIKeyXJCAKBKYFMHWCJ-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206481
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185919
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83189356
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037
N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83179109
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189560

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 114206482) is N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is CCOC(C)(C)c1ncc(CNC(C)C)c(C)n1.
What is the InChIKey of N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is XJCAKBKYFMHWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-18-14(5,6)13-16-9-12(11(4)17-13)8-15-10(2)3/h9-10,15H,7-8H2,1-6H3.
What are the key properties of N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).