7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C18H23N6OPS — CID 143408006

IUPAC7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCc1cc(Nc2ncnc3nc(NCCN4CCOCC4)sc23)ccc1P
InChIInChI=1S/C18H23N6OPS/c1-12-10-13(2-3-14(12)26)22-16-15-17(21-11-20-16)23-18(27-15)19-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9,26H2,1H3,(H2,19,20,21,22,23)
InChIKeyTZFIXAWPXDFOPD-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.38
Rot. Bonds6

About 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 143408006) has the molecular formula C18H23N6OPS and a molecular weight of 402.46 g/mol. Its IUPAC name is 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID143408006
Molecular FormulaC18H23N6OPS
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC Name7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESCc1cc(Nc2ncnc3nc(NCCN4CCOCC4)sc23)ccc1P
InChIInChI=1S/C18H23N6OPS/c1-12-10-13(2-3-14(12)26)22-16-15-17(21-11-20-16)23-18(27-15)19-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9,26H2,1H3,(H2,19,20,21,22,23)
InChIKeyTZFIXAWPXDFOPD-UHFFFAOYSA-N
XLogP2.38
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[[7-(3-methyl-4-morpholin-4-ylanilino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 89145726
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
4-methoxy-5,7-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 82548601
5-butyl-6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 70992525
6-N-(2-morpholin-4-ylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134737
4-N-(3-methylphenyl)-2-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 23536689
7-(3-chloroanilino)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;2-morpholin-4-ylethanamine
CID 157180341
4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 145022020

Frequently Asked Questions

What is the IUPAC name of 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 143408006) is 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is Cc1cc(Nc2ncnc3nc(NCCN4CCOCC4)sc23)ccc1P.
What is the InChIKey of 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is TZFIXAWPXDFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N6OPS/c1-12-10-13(2-3-14(12)26)22-16-15-17(21-11-20-16)23-18(27-15)19-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9,26H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 402.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-methyl-4-phosphanylphenyl)-2-N-(2-morpholin-4-ylethyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 143408006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).