N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide

C15H18N4O2 — CID 86207276

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C15H18N4O2/c1-15(2,10-20)19-13(21)11-4-6-12(7-5-11)18-14-16-8-3-9-17-14/h3-9,20H,10H2,1-2H3,(H,19,21)(H,16,17,18)
InChIKeyMFUXVJMYOPMWQO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.72
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 86207276) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide
PubChem CID86207276
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C15H18N4O2/c1-15(2,10-20)19-13(21)11-4-6-12(7-5-11)18-14-16-8-3-9-17-14/h3-9,20H,10H2,1-2H3,(H,19,21)(H,16,17,18)
InChIKeyMFUXVJMYOPMWQO-UHFFFAOYSA-N
XLogP1.72
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 167986727
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
CID 110000771
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide (CID 86207276) is N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide is CC(C)(CO)NC(=O)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is MFUXVJMYOPMWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,10-20)19-13(21)11-4-6-12(7-5-11)18-14-16-8-3-9-17-14/h3-9,20H,10H2,1-2H3,(H,19,21)(H,16,17,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 86207276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).