N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C17H23N5OS — CID 110255685

IUPACN-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C17H23N5OS/c1-12-19-14(11-16(20-12)21-17-18-6-10-24-17)15-3-2-7-22(15)13-4-8-23-9-5-13/h6,10-11,13,15H,2-5,7-9H2,1H3,(H,18,19,20,21)
InChIKeyYOYZCSNYYGZLSX-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.30
Rot. Bonds4

About N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110255685) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110255685
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C17H23N5OS/c1-12-19-14(11-16(20-12)21-17-18-6-10-24-17)15-3-2-7-22(15)13-4-8-23-9-5-13/h6,10-11,13,15H,2-5,7-9H2,1H3,(H,18,19,20,21)
InChIKeyYOYZCSNYYGZLSX-UHFFFAOYSA-N
XLogP3.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110255685) is N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CCCN2C2CCOCC2)n1.
What is the InChIKey of N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is YOYZCSNYYGZLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-19-14(11-16(20-12)21-17-18-6-10-24-17)15-3-2-7-22(15)13-4-8-23-9-5-13/h6,10-11,13,15H,2-5,7-9H2,1H3,(H,18,19,20,21).
What are the key properties of N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 345.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110255685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).