N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine

C17H23N3O — CID 63085210

IUPACN-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-5-18-15-11-14(12-21-4)19-16(20-15)17(2,3)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,18,19,20)
InChIKeyIYXLYPJJSPVTGR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine

N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine (PubChem CID 63085210) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
PubChem CID63085210
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(C(C)(C)c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-5-18-15-11-14(12-21-4)19-16(20-15)17(2,3)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,18,19,20)
InChIKeyIYXLYPJJSPVTGR-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-ethyl-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 63354175
N-ethyl-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 62320794
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
3-[4-(ethylamino)-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 62321190
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529
2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133402371
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
4-chloro-2-(2-phenylpropan-2-yl)-6-propylpyrimidine
CID 63085010
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
N-ethyl-6-methyl-2-(3-phenylpentan-3-yl)pyrimidin-4-amine
CID 63486103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine (CID 63085210) is N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine is CCNc1cc(COC)nc(C(C)(C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is IYXLYPJJSPVTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-15-11-14(12-21-4)19-16(20-15)17(2,3)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63085210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).