[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate

C24H33N7O2S — CID 58688391

IUPAC[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccccc1-c1cc(-c2cnc(NC(C)C)s2)nc(NCCN(C)C)n1
InChIInChI=1S/C24H33N7O2S/c1-6-25-24(32)33-15-17-9-7-8-10-18(17)19-13-20(21-14-27-23(34-21)28-16(2)3)30-22(29-19)26-11-12-31(4)5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,32)(H,27,28)(H,26,29,30)
InChIKeyWKWSWJZVEUMVGK-UHFFFAOYSA-N
MW483.64 g/mol
LogP4.31
Rot. Bonds11

About [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate

[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate (PubChem CID 58688391) has the molecular formula C24H33N7O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate
PubChem CID58688391
Molecular FormulaC24H33N7O2S
Molecular Weight483.64 g/mol
Exact Mass483.24
IUPAC Name[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccccc1-c1cc(-c2cnc(NC(C)C)s2)nc(NCCN(C)C)n1
InChIInChI=1S/C24H33N7O2S/c1-6-25-24(32)33-15-17-9-7-8-10-18(17)19-13-20(21-14-27-23(34-21)28-16(2)3)30-22(29-19)26-11-12-31(4)5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,32)(H,27,28)(H,26,29,30)
InChIKeyWKWSWJZVEUMVGK-UHFFFAOYSA-N
XLogP4.31
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate?
The IUPAC name of [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate (CID 58688391) is [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate.
What is the SMILES notation for [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate?
The canonical SMILES for [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate is CCNC(=O)OCc1ccccc1-c1cc(-c2cnc(NC(C)C)s2)nc(NCCN(C)C)n1.
What is the InChIKey of [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate?
The InChIKey is WKWSWJZVEUMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2S/c1-6-25-24(32)33-15-17-9-7-8-10-18(17)19-13-20(21-14-27-23(34-21)28-16(2)3)30-22(29-19)26-11-12-31(4)5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,32)(H,27,28)(H,26,29,30).
What are the key properties of [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate?
[2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate has a molecular weight of 483.64 g/mol, XLogP of 4.31, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(dimethylamino)ethylamino]-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]phenyl]methyl N-ethylcarbamate is sourced from PubChem (CID 58688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).