N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine

C12H20N4O3 — CID 122282484

IUPACN-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(N2CCOCC2)ncn1)OC
InChIInChI=1S/C12H20N4O3/c1-17-12(18-2)8-13-10-7-11(15-9-14-10)16-3-5-19-6-4-16/h7,9,12H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeySPQAERRWYDIJGZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.34
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine

N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282484) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282484
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(N2CCOCC2)ncn1)OC
InChIInChI=1S/C12H20N4O3/c1-17-12(18-2)8-13-10-7-11(15-9-14-10)16-3-5-19-6-4-16/h7,9,12H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeySPQAERRWYDIJGZ-UHFFFAOYSA-N
XLogP0.34
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
N-(1-morpholin-4-ylpropan-2-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133291179
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112855305
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 122282484) is N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine is COC(CNc1cc(N2CCOCC2)ncn1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SPQAERRWYDIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-17-12(18-2)8-13-10-7-11(15-9-14-10)16-3-5-19-6-4-16/h7,9,12H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).