2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol

C18H22N6OS — CID 118741410

IUPAC2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
SMILESCC(C)(C)Nc1nc(-c2cccnc2)c(-c2ccnc(NCCO)n2)s1
InChIInChI=1S/C18H22N6OS/c1-18(2,3)24-17-23-14(12-5-4-7-19-11-12)15(26-17)13-6-8-20-16(22-13)21-9-10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyKAHRETFYWQYZGI-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.28
Rot. Bonds6

About 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 118741410) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID118741410
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
SMILESCC(C)(C)Nc1nc(-c2cccnc2)c(-c2ccnc(NCCO)n2)s1
InChIInChI=1S/C18H22N6OS/c1-18(2,3)24-17-23-14(12-5-4-7-19-11-12)15(26-17)13-6-8-20-16(22-13)21-9-10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyKAHRETFYWQYZGI-UHFFFAOYSA-N
XLogP3.28
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol (CID 118741410) is 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol is CC(C)(C)Nc1nc(-c2cccnc2)c(-c2ccnc(NCCO)n2)s1.
What is the InChIKey of 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is KAHRETFYWQYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-18(2,3)24-17-23-14(12-5-4-7-19-11-12)15(26-17)13-6-8-20-16(22-13)21-9-10-25/h4-8,11,25H,9-10H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 370.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(tert-butylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 118741410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).