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

C14H18ClN5S — CID 118249248

IUPAC2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine
SMILESCC1(N)CCN(c2ncc(-c3ccc(Cl)s3)c(N)n2)CC1
InChIInChI=1S/C14H18ClN5S/c1-14(17)4-6-20(7-5-14)13-18-8-9(12(16)19-13)10-2-3-11(15)21-10/h2-3,8H,4-7,17H2,1H3,(H2,16,18,19)
InChIKeyOSIODQAELFZLSU-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.76
Rot. Bonds2

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

2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine (PubChem CID 118249248) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine
PubChem CID118249248
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine
SMILESCC1(N)CCN(c2ncc(-c3ccc(Cl)s3)c(N)n2)CC1
InChIInChI=1S/C14H18ClN5S/c1-14(17)4-6-20(7-5-14)13-18-8-9(12(16)19-13)10-2-3-11(15)21-10/h2-3,8H,4-7,17H2,1H3,(H2,16,18,19)
InChIKeyOSIODQAELFZLSU-UHFFFAOYSA-N
XLogP2.76
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.76
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-chlorothiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine (CID 118249248) is 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine is CC1(N)CCN(c2ncc(-c3ccc(Cl)s3)c(N)n2)CC1.
What is the InChIKey of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine?
The InChIKey is OSIODQAELFZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-14(17)4-6-20(7-5-14)13-18-8-9(12(16)19-13)10-2-3-11(15)21-10/h2-3,8H,4-7,17H2,1H3,(H2,16,18,19).
What are the key properties of 2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine?
2-(4-amino-4-methylpiperidin-1-yl)-5-(5-chlorothiophen-2-yl)pyrimidin-4-amine has a molecular weight of 323.85 g/mol, XLogP of 2.76, 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-chlorothiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 118249248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).