N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine

C16H20N4O3 — CID 112857127

IUPACN-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C16H20N4O3/c1-21-12-3-4-14(22-2)13(9-12)19-15-10-16(18-11-17-15)20-5-7-23-8-6-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyKODQHECVRNTRDU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112857127) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID112857127
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C16H20N4O3/c1-21-12-3-4-14(22-2)13(9-12)19-15-10-16(18-11-17-15)20-5-7-23-8-6-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyKODQHECVRNTRDU-UHFFFAOYSA-N
XLogP2.07
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 112857127) is N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine is COc1ccc(OC)c(Nc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KODQHECVRNTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-21-12-3-4-14(22-2)13(9-12)19-15-10-16(18-11-17-15)20-5-7-23-8-6-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112857127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).