4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

C18H23N5O3S — CID 112862016

IUPAC4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESO=S1(=O)CCC(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H23N5O3S/c24-27(25)10-5-14(12-27)21-17-11-18(20-13-19-17)22-15-3-1-2-4-16(15)23-6-8-26-9-7-23/h1-4,11,13-14H,5-10,12H2,(H2,19,20,21,22)
InChIKeyMCQKURIMWYLDQI-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.66
Rot. Bonds5

About 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112862016) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112862016
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESO=S1(=O)CCC(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H23N5O3S/c24-27(25)10-5-14(12-27)21-17-11-18(20-13-19-17)22-15-3-1-2-4-16(15)23-6-8-26-9-7-23/h1-4,11,13-14H,5-10,12H2,(H2,19,20,21,22)
InChIKeyMCQKURIMWYLDQI-UHFFFAOYSA-N
XLogP1.66
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
N-(1,1-dioxothiolan-3-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861932
4-N-(1,1-dioxothiolan-3-yl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862028
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
6-N-(2-bromo-4-methylphenyl)-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112862022
N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidin-4-amine
CID 80932975
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
6-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112858744
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (CID 112862016) is 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is O=S1(=O)CCC(Nc2cc(Nc3ccccc3N3CCOCC3)ncn2)C1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is MCQKURIMWYLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-27(25)10-5-14(12-27)21-17-11-18(20-13-19-17)22-15-3-1-2-4-16(15)23-6-8-26-9-7-23/h1-4,11,13-14H,5-10,12H2,(H2,19,20,21,22).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 389.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).