4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

C14H15N5S — CID 107801951

IUPAC4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C14H15N5S/c1-3-12-18-13(15-2)7-14(19-12)17-9-4-5-10-11(6-9)20-8-16-10/h4-8H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyHOWGQENRZNICQN-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.43
Rot. Bonds4

About 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107801951) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID107801951
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C14H15N5S/c1-3-12-18-13(15-2)7-14(19-12)17-9-4-5-10-11(6-9)20-8-16-10/h4-8H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyHOWGQENRZNICQN-UHFFFAOYSA-N
XLogP3.43
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107801952
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
CID 107800195
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
CID 107800218
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 107801951) is 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HOWGQENRZNICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-3-12-18-13(15-2)7-14(19-12)17-9-4-5-10-11(6-9)20-8-16-10/h4-8H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 285.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).