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

C16H21N5OS — CID 126887833

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H21N5OS/c1-11-8-15(18-10-17-11)19-12-2-5-21(6-3-12)16-20-13-4-7-22-9-14(13)23-16/h8,10,12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyOTMFJVMQMABGTE-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.40
Rot. Bonds3

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

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887833) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887833
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H21N5OS/c1-11-8-15(18-10-17-11)19-12-2-5-21(6-3-12)16-20-13-4-7-22-9-14(13)23-16/h8,10,12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyOTMFJVMQMABGTE-UHFFFAOYSA-N
XLogP2.40
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,2-dimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271889
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-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-{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}methyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888592
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 N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887833) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-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]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(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]-6-methylpyrimidin-4-amine?
The InChIKey is OTMFJVMQMABGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-8-15(18-10-17-11)19-12-2-5-21(6-3-12)16-20-13-4-7-22-9-14(13)23-16/h8,10,12H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 331.45 g/mol, XLogP of 2.40, 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]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).