4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine

C16H21N5O2 — CID 19137693

IUPAC4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(N3CCOCC3)c2N)cc1
InChIInChI=1S/C16H21N5O2/c1-2-23-13-5-3-12(4-6-13)20-15-14(17)16(19-11-18-15)21-7-9-22-10-8-21/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20)
InChIKeyIIROKWOISDLNCS-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.04
Rot. Bonds5

About 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine

4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine (PubChem CID 19137693) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
PubChem CID19137693
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(N3CCOCC3)c2N)cc1
InChIInChI=1S/C16H21N5O2/c1-2-23-13-5-3-12(4-6-13)20-15-14(17)16(19-11-18-15)21-7-9-22-10-8-21/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20)
InChIKeyIIROKWOISDLNCS-UHFFFAOYSA-N
XLogP2.04
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19149279
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
4-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine (CID 19137693) is 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine is CCOc1ccc(Nc2ncnc(N3CCOCC3)c2N)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The InChIKey is IIROKWOISDLNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-23-13-5-3-12(4-6-13)20-15-14(17)16(19-11-18-15)21-7-9-22-10-8-21/h3-6,11H,2,7-10,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine has a molecular weight of 315.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).