N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

C14H25N3O — CID 116731735

IUPACN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OC)C(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLQQZVSXBMVZKGZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 116731735) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
PubChem CID116731735
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OC)C(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3
InChIKeyLQQZVSXBMVZKGZ-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

N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731738
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731574
N-ethyl-2-(1-methoxy-2-methylpropyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116729084
N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 116731243
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 116731705
N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745483
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731696
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (CID 116731735) is N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(C(OC)C(C)C)nc1C.
What is the InChIKey of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is LQQZVSXBMVZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-15-8-12-10(4)16-14(17-11(12)5)13(18-6)9(2)3/h9,13,15H,7-8H2,1-6H3.
What are the key properties of N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine 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-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116731735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).