6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine

C11H15N5S2 — CID 80830453

IUPAC6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2scnc2C)nc(SC)n1
InChIInChI=1S/C11H15N5S2/c1-7-8(18-6-14-7)5-13-10-4-9(12-2)15-11(16-10)17-3/h4,6H,5H2,1-3H3,(H2,12,13,15,16)
InChIKeyULVHDAIOCCOSEF-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.62
Rot. Bonds5

About 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine

6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80830453) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80830453
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2scnc2C)nc(SC)n1
InChIInChI=1S/C11H15N5S2/c1-7-8(18-6-14-7)5-13-10-4-9(12-2)15-11(16-10)17-3/h4,6H,5H2,1-3H3,(H2,12,13,15,16)
InChIKeyULVHDAIOCCOSEF-UHFFFAOYSA-N
XLogP2.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80829432
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80946967
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
6-N-methyl-2-methylsulfanyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80793102
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80830453) is 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2scnc2C)nc(SC)n1.
What is the InChIKey of 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ULVHDAIOCCOSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-7-8(18-6-14-7)5-13-10-4-9(12-2)15-11(16-10)17-3/h4,6H,5H2,1-3H3,(H2,12,13,15,16).
What are the key properties of 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 281.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-methylsulfanyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80830453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).