2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole

C19H28N4OS — CID 133400871

IUPAC2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3
InChIKeyMUAIWMOFQMFAPG-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.07
Rot. Bonds4

About 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole

2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole (PubChem CID 133400871) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
PubChem CID133400871
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
SMILESCOCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3
InChIKeyMUAIWMOFQMFAPG-UHFFFAOYSA-N
XLogP4.07
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
2-tert-butyl-4-(methoxymethyl)-6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]pyrimidine
CID 133401963
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
2-tert-butyl-4-(3-ethyl-3-methylpiperidin-1-yl)-6-(methoxymethyl)pyrimidine
CID 133402600

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole (CID 133400871) is 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole is COCc1cc(N2CCC(c3nc(C)cs3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is MUAIWMOFQMFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13-12-25-17(20-13)14-6-8-23(9-7-14)16-10-15(11-24-5)21-18(22-16)19(2,3)4/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole?
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 360.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 133400871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).