2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine

C13H18N4S — CID 116974370

IUPAC2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1cnc(NC(C)(C)CN)nc1
InChIInChI=1S/C13H18N4S/c1-9-4-5-18-11(9)10-6-15-12(16-7-10)17-13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyRIBHKQSZJNSQJB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine

2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116974370) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116974370
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCc1ccsc1-c1cnc(NC(C)(C)CN)nc1
InChIInChI=1S/C13H18N4S/c1-9-4-5-18-11(9)10-6-15-12(16-7-10)17-13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,16,17)
InChIKeyRIBHKQSZJNSQJB-UHFFFAOYSA-N
XLogP2.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine (CID 116974370) is 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine is Cc1ccsc1-c1cnc(NC(C)(C)CN)nc1.
What is the InChIKey of 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is RIBHKQSZJNSQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-4-5-18-11(9)10-6-15-12(16-7-10)17-13(2,3)8-14/h4-7H,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine?
2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116974370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).