2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine

C15H21N5S — CID 118249250

IUPAC2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2cnc(N3CCC(C)(N)CC3)nc2N)s1
InChIInChI=1S/C15H21N5S/c1-10-3-4-12(21-10)11-9-18-14(19-13(11)16)20-7-5-15(2,17)6-8-20/h3-4,9H,5-8,17H2,1-2H3,(H2,16,18,19)
InChIKeyRNJAZQWCWNYWQE-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine

2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 118249250) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID118249250
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2cnc(N3CCC(C)(N)CC3)nc2N)s1
InChIInChI=1S/C15H21N5S/c1-10-3-4-12(21-10)11-9-18-14(19-13(11)16)20-7-5-15(2,17)6-8-20/h3-4,9H,5-8,17H2,1-2H3,(H2,16,18,19)
InChIKeyRNJAZQWCWNYWQE-UHFFFAOYSA-N
XLogP2.41
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 118249250) is 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine is Cc1ccc(-c2cnc(N3CCC(C)(N)CC3)nc2N)s1.
What is the InChIKey of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is RNJAZQWCWNYWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-3-4-12(21-10)11-9-18-14(19-13(11)16)20-7-5-15(2,17)6-8-20/h3-4,9H,5-8,17H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine?
2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 118249250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).