2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine

C12H16N4S — CID 146106897

IUPAC2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N)nc(N(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C12H16N4S/c1-8-6-11(13)15-12(14-8)16(3)7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H2,13,14,15)
InChIKeyCZDMPLPYEYXXGH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds3

About 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine

2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 146106897) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID146106897
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N)nc(N(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C12H16N4S/c1-8-6-11(13)15-12(14-8)16(3)7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H2,13,14,15)
InChIKeyCZDMPLPYEYXXGH-UHFFFAOYSA-N
XLogP2.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine (CID 146106897) is 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(N)nc(N(C)Cc2ccc(C)s2)n1.
What is the InChIKey of 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CZDMPLPYEYXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-11(13)15-12(14-8)16(3)7-10-5-4-9(2)17-10/h4-6H,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-2-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 146106897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).