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

C18H26N6OS — CID 126888592

IUPAC6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C18H26N6OS/c1-23(2)17-9-16(19-12-20-17)21-13-3-6-24(7-4-13)10-18-22-14-5-8-25-11-15(14)26-18/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFIFIJEYEWMMRCX-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.15
Rot. Bonds5

About 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126888592) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID126888592
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C18H26N6OS/c1-23(2)17-9-16(19-12-20-17)21-13-3-6-24(7-4-13)10-18-22-14-5-8-25-11-15(14)26-18/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFIFIJEYEWMMRCX-UHFFFAOYSA-N
XLogP2.15
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 136571636
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889774
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889855
N-cyclopropyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890945
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887325
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887409
6-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887749
6-methyl-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887833
6-methoxy-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888177
6-methoxy-N-{1-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl}pyrimidin-4-amine
CID 126888178
6-methoxy-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126888257
N4,N4-dimethyl-N6-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888675

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 126888592) is 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is FIFIJEYEWMMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-23(2)17-9-16(19-12-20-17)21-13-3-6-24(7-4-13)10-18-22-14-5-8-25-11-15(14)26-18/h9,12-13H,3-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 6-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 374.51 g/mol, XLogP of 2.15, 5 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-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).