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

C17H24N6OS — CID 126888675

IUPAC6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H24N6OS/c1-22(2)16-9-15(18-11-19-16)20-12-3-6-23(7-4-12)17-21-13-5-8-24-10-14(13)25-17/h9,11-12H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyVYXKSQUHPVXOLD-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.15
Rot. Bonds4

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

6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126888675) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID126888675
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C17H24N6OS/c1-22(2)16-9-15(18-11-19-16)20-12-3-6-23(7-4-12)17-21-13-5-8-24-10-14(13)25-17/h9,11-12H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyVYXKSQUHPVXOLD-UHFFFAOYSA-N
XLogP2.15
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 126888675) is 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is VYXKSQUHPVXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-22(2)16-9-15(18-11-19-16)20-12-3-6-23(7-4-12)17-21-13-5-8-24-10-14(13)25-17/h9,11-12H,3-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 360.49 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126888675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).