N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

C15H19N5OS — CID 126887409

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C15H19N5OS/c1-5-16-10-17-14(1)18-11-2-6-20(7-3-11)15-19-12-4-8-21-9-13(12)22-15/h1,5,10-11H,2-4,6-9H2,(H,16,17,18)
InChIKeyRPFJJVYPAIEBOZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887409) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887409
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C15H19N5OS/c1-5-16-10-17-14(1)18-11-2-6-20(7-3-11)15-19-12-4-8-21-9-13(12)22-15/h1,5,10-11H,2-4,6-9H2,(H,16,17,18)
InChIKeyRPFJJVYPAIEBOZ-UHFFFAOYSA-N
XLogP2.09
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887409) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is RPFJJVYPAIEBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-5-16-10-17-14(1)18-11-2-6-20(7-3-11)15-19-12-4-8-21-9-13(12)22-15/h1,5,10-11H,2-4,6-9H2,(H,16,17,18).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).