6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine

C17H15N5S — CID 139934785

IUPAC6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Cc2cccc3c2Nc2ccccc2S3)nc(N)n1
InChIInChI=1S/C17H15N5S/c18-15-9-11(20-17(19)22-15)8-10-4-3-7-14-16(10)21-12-5-1-2-6-13(12)23-14/h1-7,9,21H,8H2,(H4,18,19,20,22)
InChIKeyCEYURVFMKWDHLM-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.44
Rot. Bonds2

About 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine

6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 139934785) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine
PubChem CID139934785
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Cc2cccc3c2Nc2ccccc2S3)nc(N)n1
InChIInChI=1S/C17H15N5S/c18-15-9-11(20-17(19)22-15)8-10-4-3-7-14-16(10)21-12-5-1-2-6-13(12)23-14/h1-7,9,21H,8H2,(H4,18,19,20,22)
InChIKeyCEYURVFMKWDHLM-UHFFFAOYSA-N
XLogP3.44
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine (CID 139934785) is 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine is Nc1cc(Cc2cccc3c2Nc2ccccc2S3)nc(N)n1.
What is the InChIKey of 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CEYURVFMKWDHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c18-15-9-11(20-17(19)22-15)8-10-4-3-7-14-16(10)21-12-5-1-2-6-13(12)23-14/h1-7,9,21H,8H2,(H4,18,19,20,22).
What are the key properties of 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine?
6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 321.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10H-phenothiazin-1-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139934785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).