N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide

C19H22N6O2 — CID 166026366

IUPACN-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1cccc(-c2nccc(Nc3cn[nH]c3)n2)c1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-17(26)12-27-15-6-4-5-13(9-15)18-20-8-7-16(24-18)23-14-10-21-22-11-14/h4-11H,12H2,1-3H3,(H,21,22)(H,25,26)(H,20,23,24)
InChIKeyGQQMXJFUOPINQL-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.90
Rot. Bonds6

About N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide

N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide (PubChem CID 166026366) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
PubChem CID166026366
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1cccc(-c2nccc(Nc3cn[nH]c3)n2)c1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)25-17(26)12-27-15-6-4-5-13(9-15)18-20-8-7-16(24-18)23-14-10-21-22-11-14/h4-11H,12H2,1-3H3,(H,21,22)(H,25,26)(H,20,23,24)
InChIKeyGQQMXJFUOPINQL-UHFFFAOYSA-N
XLogP2.90
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[3-[4-phenoxy-6-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
CID 152591969
N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide
CID 151931595
N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 151257628
N-tert-butyl-2-[3-[6-ethoxy-5-fluoro-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150912998
N-tert-butyl-2-[3-[6-cyclopentyloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 175821716
2-[3-[6-fluoro-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 151368304
2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone
CID 90095818
N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 153384256
N-tert-butyl-2-[3-[6-ethoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150772522
N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide
CID 66826298
N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150018299
2-(3-ethylphenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 43430758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide (CID 166026366) is N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1cccc(-c2nccc(Nc3cn[nH]c3)n2)c1.
What is the InChIKey of N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide?
The InChIKey is GQQMXJFUOPINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,3)25-17(26)12-27-15-6-4-5-13(9-15)18-20-8-7-16(24-18)23-14-10-21-22-11-14/h4-11H,12H2,1-3H3,(H,21,22)(H,25,26)(H,20,23,24).
What are the key properties of N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide?
N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 166026366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).